[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H25NO5S2/c1-14-6-7-18(13-15(14)2)20(23)16(3)27-21(24)17-8-10-22(11-9-17)29(25,26)19-5-4-12-28-19/h4-7,12-13,16-17H,8-11H2,1-3H3