[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-tosylpipecolinic acid [2-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C24H30N2O7S/c1-5-32-24(29)22-16(3)21(17(4)25-22)20(27)14-33-23(28)19-8-6-7-13-26(19)34(30,31)18-11-9-15(2)10-12-18/h9-12,19,25H,5-8,13-14H2,1-4H3