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LS1

Summary
Name:N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Formula:C16 H15 N3 O3 S
Formal charge:0
Formula weight:329.374 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-methyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
OpenEye OEToolkits1.5.0N-methyl-4-[[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]amino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(NC)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
SMILES_CANONICALCACTVS3.341CN[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1
SMILESCACTVS3.341CN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3ccccc3NC2=O
SMILESOpenEye OEToolkits1.5.0CNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O
InChIInChI1.03InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,17-18H,1H3,(H,19,20)/b14-10-
InChIKeyInChI1.03IKASAFLVQIJQOK-UVTDQMKNSA-N

218853

PDB entries from 2024-04-24

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