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

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-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-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

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