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

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-16-6-7-19(14-22(16)32(29,30)25-12-4-3-5-13-25)23(28)31-15-21(27)18-8-10-20(11-9-18)24-17(2)26/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,24,26)