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

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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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=CN=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-15-6-7-19(13-16(15)2)21(25)17(3)29-22(26)18-8-11-24(12-9-18)30(27,28)20-5-4-10-23-14-20/h4-7,10,13-14,17-18H,8-9,11-12H2,1-3H3