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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c1-28-20(25)14-4-8-17(9-5-14)22-19(24)15-3-2-12-23(13-15)29(26,27)18-10-6-16(21)7-11-18/h4-11,15H,2-3,12-13H2,1H3,(H,22,24)