[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(2-pyridyl)piperazin-1-yl]benzenesulfonate CAS Name: 4-[4-(2-pyridinyl)-1-piperazinyl]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-[4-(2-pyridyl)piperazino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C26H26N6O4S MolecularWeight: 518.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C26H26N6O4S/c33-25(18-4-5-18)30-26-28-22-11-8-20(17-23(22)29-26)36-37(34,35)21-9-6-19(7-10-21)31-13-15-32(16-14-31)24-3-1-2-12-27-24/h1-3,6-12,17-18H,4-5,13-16H2,(H2,28,29,30,33)