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57E

Summary
Name:1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide
Formula:C19 H21 N3 O4 S
Formal charge:0
Formula weight:387.453 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide
OpenEye OEToolkits1.9.21-[(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-indole-6-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCc1c(c(nc1C(=O)n3c2cc(S(NC)(=O)=O)ccc2cc3)C)C(=O)C
InChIInChI1.03InChI=1S/C19H21N3O4S/c1-5-15-17(12(3)23)11(2)21-18(15)19(24)22-9-8-13-6-7-14(10-16(13)22)27(25,26)20-4/h6-10,20-21H,5H2,1-4H3
InChIKeyInChI1.03FRIHRFHOIOFYKK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)n2ccc3ccc(cc23)[S](=O)(=O)NC
SMILESCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)n2ccc3ccc(cc23)[S](=O)(=O)NC
SMILES_CANONICALOpenEye OEToolkits1.9.2CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C
SMILESOpenEye OEToolkits1.9.2CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C

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PDB entries from 2024-10-09

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