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BNM

Summary
Name:N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Formula:C18 H21 N3 O4 S2
Formal charge:0
Formula weight:407.507 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
OpenEye OEToolkits1.7.6N-[3-(cyclopentylsulfamoyl)-5-(2-oxidanylidene-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C4SC=C(c2cc(cc(NC(=O)C1CC1)c2)S(=O)(=O)NC3CCCC3)N4
InChIInChI1.03InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)
InChIKeyInChI1.03OLJJIVPNEQZRJR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1NC(=CS1)c2cc(NC(=O)C3CC3)cc(c2)[S](=O)(=O)NC4CCCC4
SMILESCACTVS3.385O=C1NC(=CS1)c2cc(NC(=O)C3CC3)cc(c2)[S](=O)(=O)NC4CCCC4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4
SMILESOpenEye OEToolkits1.7.6c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4

222415

数据于2024-07-10公开中

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