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

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-oxidanylpiperidin-1-yl)benzenesulfonate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxy-1-piperidyl)benzenesulfonate CAS Name: 4-(4-hydroxy-1-piperidinyl)benzenesulfonic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxypiperidin-1-yl)benzenesulfonate Traditional Name: 4-(4-hydroxypiperidino)benzenesulfonic acid [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4CCC(CC4)O

Isomeric SMILES

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4CCC(CC4)O

InChI

InChI=1S/C22H27N5O6S/c1-32-13-10-23-22(29)26-21-24-19-7-4-17(14-20(19)25-21)33-34(30,31)18-5-2-15(3-6-18)27-11-8-16(28)9-12-27/h2-7,14,16,28H,8-13H2,1H3,(H3,23,24,25,26,29)