methyl 2-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[brosyl(methyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrN2O5S/c1-20(26(23,24)13-9-7-12(18)8-10-13)11-16(21)19-15-6-4-3-5-14(15)17(22)25-2/h3-10H,11H2,1-2H3,(H,19,21)