[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-methoxy-3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2R)-2-methylpiperidino]sulfonyl-benzoic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC[C@H]3C)C

InChI

InChI=1S/C24H32N2O6S/c1-6-25-17(3)13-20(18(25)4)21(27)15-32-24(28)19-10-11-22(31-5)23(14-19)33(29,30)26-12-8-7-9-16(26)2/h10-11,13-14,16H,6-9,12,15H2,1-5H3/t16-/m1/s1