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

Systemtic Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-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-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C18H26N2O7S/c1-5-26-18(23)16-11(2)15(12(3)19-16)14(21)10-27-17(22)13-6-8-20(9-7-13)28(4,24)25/h13,19H,5-10H2,1-4H3