[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C24H32N2O6S/c1-17-15-22(18(2)26(17)14-9-19-5-7-21(31-3)8-6-19)23(27)16-32-24(28)20-10-12-25(13-11-20)33(4,29)30/h5-8,15,20H,9-14,16H2,1-4H3