phenacyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: phenacyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: phenacyl 3,4-dimethyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3,4-dimethyl-5-(4-methylpiperidino)sulfonyl-benzoic acid phenacyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S/c1-16-9-11-24(12-10-16)30(27,28)22-14-20(13-17(2)18(22)3)23(26)29-15-21(25)19-7-5-4-6-8-19/h4-8,13-14,16H,9-12,15H2,1-3H3