[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H28N2O6S/c1-3-18-7-6-8-21-22(15-27-25(18)21)24(30)16-34-26(31)23-9-4-5-14-28(23)35(32,33)20-12-10-19(11-13-20)17(2)29/h6-8,10-13,15,23,27H,3-5,9,14,16H2,1-2H3