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

Systemtic Name: [1-oxidanylidene-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] 3,4-dimethylbenzenesulfonate Openeye Name: [1-oxo-7-[5-(1-piperidylmethyl)-1H-indol-2-yl]isoindolin-4-yl] 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid [1-oxo-7-[5-(1-piperidinylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] ester IUPAC Name: [1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid [1-keto-7-[5-(piperidinomethyl)-1H-indol-2-yl]isoindolin-4-yl] ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3CNC(=O)C3=C(C=C2)C4=CC5=C(N4)C=CC(=C5)CN6CCCCC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3CNC(=O)C3=C(C=C2)C4=CC5=C(N4)C=CC(=C5)CN6CCCCC6)C

InChI

InChI=1S/C30H31N3O4S/c1-19-6-8-23(14-20(19)2)38(35,36)37-28-11-9-24(29-25(28)17-31-30(29)34)27-16-22-15-21(7-10-26(22)32-27)18-33-12-4-3-5-13-33/h6-11,14-16,32H,3-5,12-13,17-18H2,1-2H3,(H,31,34)