[1-oxidanylidene-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] benzenesulfonate hydrochloride

Systemtic Name: [1-oxidanylidene-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] benzenesulfonate hydrochloride Openeye Name: [1-oxo-7-[5-(1-piperidylmethyl)-1H-indol-2-yl]isoindolin-4-yl] benzenesulfonate hydrochloride CAS Name: benzenesulfonic acid [1-oxo-7-[5-(1-piperidinylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] ester hydrochloride IUPAC Name: [1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] benzenesulfonate hydrochloride Traditional Name: benzenesulfonic acid [1-keto-7-[5-(piperidinomethyl)-1H-indol-2-yl]isoindolin-4-yl] ester hydrochloride Formula: C28H28ClN3O4S MolecularWeight: 538.05762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=C5C(=C(C=C4)OS(=O)(=O)C6=CC=CC=C6)CNC5=O.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=C5C(=C(C=C4)OS(=O)(=O)C6=CC=CC=C6)CNC5=O.Cl

InChI

InChI=1S/C28H27N3O4S.ClH/c32-28-27-22(10-12-26(23(27)17-29-28)35-36(33,34)21-7-3-1-4-8-21)25-16-20-15-19(9-11-24(20)30-25)18-31-13-5-2-6-14-31;/h1,3-4,7-12,15-16,30H,2,5-6,13-14,17-18H2,(H,29,32);1H