[2-[(4-dimethylaminophenyl)carbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-[(4-dimethylaminophenyl)carbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[(4-dimethylaminophenyl)carbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[[4-(dimethylamino)anilino]-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)carbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[(4-dimethylaminophenyl)carbamoylamino]-3H-benzimidazol-5-yl] ester Formula: C27H30N6O4S MolecularWeight: 534.6299

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5CCCC5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5CCCC5

InChI

InChI=1S/C27H30N6O4S/c1-33(2)21-11-7-20(8-12-21)29-27(34)32-26-30-24-16-13-22(17-25(24)31-26)37-38(35,36)23-14-9-19(10-15-23)28-18-5-3-4-6-18/h7-18,28H,3-6H2,1-2H3,(H3,29,30,31,32,34)