[2-[methyl(methylcarbamoyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-[methyl(methylcarbamoyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[methyl(methylcarbamoyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[methyl(methylcarbamoyl)amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[methyl(methylcarbamoyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[methyl(methylcarbamoyl)amino]-3H-benzimidazol-5-yl] ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C)C1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

Isomeric SMILES

CNC(=O)N(C)C1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

InChI

InChI=1S/C21H25N5O4S/c1-22-21(27)26(2)20-24-18-12-9-16(13-19(18)25-20)30-31(28,29)17-10-7-15(8-11-17)23-14-5-3-4-6-14/h7-14,23H,3-6H2,1-2H3,(H,22,27)(H,24,25)