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YAI

Summary
Name:4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-carbonyl]benzene-1-sulfonamide
Formula:C24 H26 F3 N7 O4 S
Formal charge:0
Formula weight:565.568 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-carbonyl]benzene-1-sulfonamide
OpenEye OEToolkits2.0.74-[4-[3-[2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]carbonylbenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChIInChI1.06InChI=1S/C24H26F3N7O4S/c1-16-29-31-34(30-16)15-19-14-20(24(25,26)27)6-2-17(19)5-9-22(35)32-10-12-33(13-11-32)23(36)18-3-7-21(8-4-18)39(28,37)38/h2-4,6-8,14H,5,9-13,15H2,1H3,(H2,28,37,38)
InChIKeyInChI1.06UTICIZWBNOHDIF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCN(CC3)C(=O)c4ccc(cc4)[S](N)(=O)=O)C(F)(F)F)n1
SMILESCACTVS3.385Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCN(CC3)C(=O)c4ccc(cc4)[S](N)(=O)=O)C(F)(F)F)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N)C(F)(F)F

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PDB entries from 2026-03-25

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