[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonate CAS Name: 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonate Traditional Name: 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C27H25N5O4S MolecularWeight: 515.5835

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)NCCC5=CNC6=CC=CC=C65

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCC5=CNC6=CC=CC=C65

InChI

InChI=1S/C27H25N5O4S/c33-26(17-5-6-17)32-27-30-24-12-9-20(15-25(24)31-27)36-37(34,35)21-10-7-19(8-11-21)28-14-13-18-16-29-23-4-2-1-3-22(18)23/h1-4,7-12,15-17,28-29H,5-6,13-14H2,(H2,30,31,32,33)