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

Systemtic Name: [1-oxidanylidene-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] methanesulfonate hydrochloride Openeye Name: [1-oxo-7-[5-(1-piperidylmethyl)-1H-indol-2-yl]isoindolin-4-yl] methanesulfonate hydrochloride CAS Name: methanesulfonic 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] methanesulfonate hydrochloride Traditional Name: methanesulfonic acid [1-keto-7-[5-(piperidinomethyl)-1H-indol-2-yl]isoindolin-4-yl] ester hydrochloride Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C2CNC(=O)C2=C(C=C1)C3=CC4=C(N3)C=CC(=C4)CN5CCCCC5.Cl

Isomeric SMILES

CS(=O)(=O)OC1=C2CNC(=O)C2=C(C=C1)C3=CC4=C(N3)C=CC(=C4)CN5CCCCC5.Cl

InChI

InChI=1S/C23H25N3O4S.ClH/c1-31(28,29)30-21-8-6-17(22-18(21)13-24-23(22)27)20-12-16-11-15(5-7-19(16)25-20)14-26-9-3-2-4-10-26;/h5-8,11-12,25H,2-4,9-10,13-14H2,1H3,(H,24,27);1H