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

Systemtic Name: [2-[(3-chlorophenyl)carbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[(3-chlorophenyl)carbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[(3-chloroanilino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[(3-chlorophenyl)carbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[(3-chlorophenyl)carbamoylamino]-3H-benzimidazol-5-yl] ester Formula: C25H24ClN5O4S MolecularWeight: 526.00716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H24ClN5O4S/c26-16-4-3-7-19(14-16)28-25(32)31-24-29-22-13-10-20(15-23(22)30-24)35-36(33,34)21-11-8-18(9-12-21)27-17-5-1-2-6-17/h3-4,7-15,17,27H,1-2,5-6H2,(H3,28,29,30,31,32)