methyl 3-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[(1-brosylnipecotoyl)amino]benzoic acid methyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-28-20(25)14-4-2-6-17(12-14)22-19(24)15-5-3-11-23(13-15)29(26,27)18-9-7-16(21)8-10-18/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,22,24)