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

Systemtic Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-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-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H34N2O6S/c1-5-34(30,31)26-13-11-21(12-14-26)25(29)33-17-24(28)23-16-18(2)27(19(23)3)15-10-20-6-8-22(32-4)9-7-20/h6-9,16,21H,5,10-15,17H2,1-4H3