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

Systemtic Name: [5-methoxy-1-oxidanylidene-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] 2-cyanobenzenesulfonate hydrochloride Openeye Name: [5-methoxy-1-oxo-7-[5-(1-piperidylmethyl)-1H-indol-2-yl]isoindolin-4-yl] 2-cyanobenzenesulfonate hydrochloride CAS Name: 2-cyanobenzenesulfonic acid [5-methoxy-1-oxo-7-[5-(1-piperidinylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] ester hydrochloride IUPAC Name: [5-methoxy-1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] 2-cyanobenzenesulfonate hydrochloride Traditional Name: 2-cyanobenzenesulfonic acid [1-keto-5-methoxy-7-[5-(piperidinomethyl)-1H-indol-2-yl]isoindolin-4-yl] ester hydrochloride Formula: C30H29ClN4O5S MolecularWeight: 593.09306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)C3=CC4=C(N3)C=CC(=C4)CN5CCCCC5)C(=O)NC2)OS(=O)(=O)C6=CC=CC=C6C#N.Cl

Isomeric SMILES

COC1=C(C2=C(C(=C1)C3=CC4=C(N3)C=CC(=C4)CN5CCCCC5)C(=O)NC2)OS(=O)(=O)C6=CC=CC=C6C#N.Cl

InChI

InChI=1S/C30H28N4O5S.ClH/c1-38-26-15-22(25-14-21-13-19(9-10-24(21)33-25)18-34-11-5-2-6-12-34)28-23(17-32-30(28)35)29(26)39-40(36,37)27-8-4-3-7-20(27)16-31;/h3-4,7-10,13-15,33H,2,5-6,11-12,17-18H2,1H3,(H,32,35);1H