methyl 3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-(2,4-dimethylbenzoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(2,4-dimethylbenzoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-15-7-8-20(16(2)13-15)21(24)17-9-11-23(12-10-17)29(26,27)19-6-4-5-18(14-19)22(25)28-3/h4-8,13-14,17H,9-12H2,1-3H3