(4-bromophenyl) 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (4-bromophenyl) 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (4-bromophenyl) 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid (4-bromophenyl) ester Formula: C19H19BrClNO4S MolecularWeight: 472.78046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClNO4S/c1-13-3-2-10-22(12-13)27(24,25)18-11-14(4-9-17(18)21)19(23)26-16-7-5-15(20)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3/t13-/m0/s1