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

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-oxidanylpiperidin-1-yl)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxy-1-piperidyl)benzenesulfonate CAS Name: 4-(4-hydroxy-1-piperidinyl)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-hydroxypiperidin-1-yl)benzenesulfonate Traditional Name: 4-(4-hydroxypiperidino)benzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C25H26N6O5S MolecularWeight: 522.57614

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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)NCC5=CC=CC=N5

Isomeric SMILES

C1CN(CCC1O)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/C25H26N6O5S/c32-19-10-13-31(14-11-19)18-4-7-21(8-5-18)37(34,35)36-20-6-9-22-23(15-20)29-24(28-22)30-25(33)27-16-17-3-1-2-12-26-17/h1-9,12,15,19,32H,10-11,13-14,16H2,(H3,27,28,29,30,33)