[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H28N2O6S/c1-16-7-8-20(15-22(16)33(30,31)26-13-5-4-6-14-26)24(29)32-17(2)23(28)19-9-11-21(12-10-19)25-18(3)27/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,25,27)