[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)C3=CC=CN3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)C3=CC=CN3C)C

InChI

InChI=1S/C21H25NO5S/c1-15-8-9-17(13-16(15)2)28(25,26)21(10-4-5-11-21)20(24)27-14-19(23)18-7-6-12-22(18)3/h6-9,12-13H,4-5,10-11,14H2,1-3H3