(2,4-dichlorophenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (2,4-dichlorophenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (2,4-dichlorophenyl)methyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid (2,4-dichlorobenzyl) ester Formula: C21H23Cl2NO4S MolecularWeight: 456.38262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C21H23Cl2NO4S/c1-14-8-15(2)12-24(11-14)29(26,27)19-5-3-4-16(9-19)21(25)28-13-17-6-7-18(22)10-20(17)23/h3-7,9-10,14-15H,8,11-13H2,1-2H3