[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(4-pyrrolidin-1-ylbutylamino)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(4-pyrrolidin-1-ylbutylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-pyrrolidin-1-ylbutylamino)benzenesulfonate CAS Name: 4-[4-(1-pyrrolidinyl)butylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-pyrrolidin-1-ylbutylamino)benzenesulfonate Traditional Name: 4-(4-pyrrolidinobutylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C25H31N5O4S MolecularWeight: 497.60974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

C1CCN(C1)CCCCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C25H31N5O4S/c31-24(18-5-6-18)29-25-27-22-12-9-20(17-23(22)28-25)34-35(32,33)21-10-7-19(8-11-21)26-13-1-2-14-30-15-3-4-16-30/h7-12,17-18,26H,1-6,13-16H2,(H2,27,28,29,31)