[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 3-[(4-benzyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-benzylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonylbenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H28N2O5S/c32-28(26-19-30-27-12-5-4-11-25(26)27)20-36-29(33)23-9-6-10-24(18-23)37(34,35)31-15-13-22(14-16-31)17-21-7-2-1-3-8-21/h1-12,18-19,22,30H,13-17,20H2