[2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(4-methyl-1-piperazinyl)benzenesulfonic acid [2-[[oxo-(2-pyridinylmethylamino)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(4-methylpiperazino)benzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C25H27N7O4S MolecularWeight: 521.59138

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC=CC=N5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C25H27N7O4S/c1-31-12-14-32(15-13-31)19-5-8-21(9-6-19)37(34,35)36-20-7-10-22-23(16-20)29-24(28-22)30-25(33)27-17-18-4-2-3-11-26-18/h2-11,16H,12-15,17H2,1H3,(H3,27,28,29,30,33)