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K88

Summary
Name:(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE
Formula:C19 H21 N3 O3 S
Formal charge:0
Formula weight:371.453 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-sulfonamide
OpenEye OEToolkits1.6.1(3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1cc\2c(cc1)NC(=O)C/2=C/c3cc4c(n3)CCCC4)N(C)C
SMILES_CANONICALCACTVS3.352CN(C)[S](=O)(=O)c1ccc2NC(=O)C(=C\c3[nH]c4CCCCc4c3)/c2c1
SMILESCACTVS3.352CN(C)[S](=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCCc4c3)c2c1
SMILES_CANONICALOpenEye OEToolkits1.6.1CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2
SMILESOpenEye OEToolkits1.6.1CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc3cc4c([nH]3)CCCC4)C(=O)N2
InChIInChI1.03InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
InChIKeyInChI1.03LOGJQOUIVKBFGH-YBEGLDIGSA-N

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건을2024-07-10부터공개중

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