methyl 2-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[(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=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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