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

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-oxidanylpiperidin-1-yl)benzenesulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxy-1-piperidyl)benzenesulfonate CAS Name: 4-(4-hydroxy-1-piperidinyl)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-hydroxypiperidin-1-yl)benzenesulfonate Traditional Name: 4-(4-hydroxypiperidino)benzenesulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C25H32N6O6S MolecularWeight: 544.62318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCN5CCOCC5

Isomeric SMILES

C1CN(CCC1O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCN5CCOCC5

InChI

InChI=1S/C25H32N6O6S/c32-19-7-10-31(11-8-19)18-1-4-21(5-2-18)38(34,35)37-20-3-6-22-23(17-20)28-24(27-22)29-25(33)26-9-12-30-13-15-36-16-14-30/h1-6,17,19,32H,7-16H2,(H3,26,27,28,29,33)