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C02

Summary
Name:4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
Formula:C22 H21 N5 O2 S
Formal charge:0
Formula weight:419.499 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-({1-methyl-5-[(phenylsulfonyl)amino]-1H-benzimidazol-2-yl}methyl)benzenecarboximidamide
OpenEye OEToolkits1.5.04-[[1-methyl-5-(phenylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1ccccc1)Nc4ccc2c(nc(n2C)Cc3ccc(C(=[N@H])N)cc3)c4
SMILES_CANONICALCACTVS3.341Cn1c(Cc2ccc(cc2)C(N)=N)nc3cc(N[S](=O)(=O)c4ccccc4)ccc13
SMILESCACTVS3.341Cn1c(Cc2ccc(cc2)C(N)=N)nc3cc(N[S](=O)(=O)c4ccccc4)ccc13
SMILES_CANONICALOpenEye OEToolkits1.5.0Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4
SMILESOpenEye OEToolkits1.5.0Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4
InChIInChI1.03InChI=1S/C22H21N5O2S/c1-27-20-12-11-17(26-30(28,29)18-5-3-2-4-6-18)14-19(20)25-21(27)13-15-7-9-16(10-8-15)22(23)24/h2-12,14,26H,13H2,1H3,(H3,23,24)
InChIKeyInChI1.03MEUAVGJWGDPTLF-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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