(2-chlorophenyl)methyl 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-chlorophenyl)methyl 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (2-chlorophenyl)methyl 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid (2-chlorobenzyl) ester Formula: C20H21BrClNO4S MolecularWeight: 486.80704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3Cl)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3Cl)Br

InChI

InChI=1S/C20H21BrClNO4S/c1-14-8-10-23(11-9-14)28(25,26)19-12-15(6-7-17(19)21)20(24)27-13-16-4-2-3-5-18(16)22/h2-7,12,14H,8-11,13H2,1H3