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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-16-7-8-19(15-21(16)31(27,28)24-13-5-4-6-14-24)23(26)30-17(2)22(25)18-9-11-20(29-3)12-10-18/h7-12,15,17H,4-6,13-14H2,1-3H3