[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[[1-(phenylmethyl)piperidin-4-yl]amino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[[1-(phenylmethyl)piperidin-4-yl]amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-benzyl-4-piperidyl)amino]benzenesulfonate CAS Name: 4-[[1-(phenylmethyl)-4-piperidinyl]amino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-benzylpiperidin-4-yl)amino]benzenesulfonate Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C29H31N5O4S MolecularWeight: 545.65254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C29H31N5O4S/c35-28(21-6-7-21)33-29-31-26-13-10-24(18-27(26)32-29)38-39(36,37)25-11-8-22(9-12-25)30-23-14-16-34(17-15-23)19-20-4-2-1-3-5-20/h1-5,8-13,18,21,23,30H,6-7,14-17,19H2,(H2,31,32,33,35)