[2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(4-methyl-1-piperazinyl)benzenesulfonic acid [2-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(4-methylpiperazino)benzenesulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C25H33N7O5S MolecularWeight: 543.63842

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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)NCCN5CCOCC5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCN5CCOCC5

InChI

InChI=1S/C25H33N7O5S/c1-30-10-12-32(13-11-30)19-2-5-21(6-3-19)38(34,35)37-20-4-7-22-23(18-20)28-24(27-22)29-25(33)26-8-9-31-14-16-36-17-15-31/h2-7,18H,8-17H2,1H3,(H3,26,27,28,29,33)