(4-bromophenyl) 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (4-bromophenyl) 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (4-bromophenyl) 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoic acid (4-bromophenyl) ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Br)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H22BrNO4S/c1-14-11-15(2)13-22(12-14)27(24,25)19-9-3-16(4-10-19)20(23)26-18-7-5-17(21)6-8-18/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1