[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C25H28N2O6S/c1-3-32-19-8-10-20(11-9-19)34(30,31)27-14-12-18(13-15-27)25(29)33-16-23(28)24-17(2)26-22-7-5-4-6-21(22)24/h4-11,18,26H,3,12-16H2,1-2H3