methyl 3-[2-[(2-bromophenyl)-methylsulfonyl-amino]ethanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[2-[(2-bromophenyl)-methylsulfonyl-amino]ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-(2-bromo-N-methylsulfonyl-anilino)acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(2-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(2-bromo-N-mesyl-anilino)acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C17H16BrClN2O5S MolecularWeight: 475.74134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C

InChI

InChI=1S/C17H16BrClN2O5S/c1-26-17(23)11-7-8-13(19)14(9-11)20-16(22)10-21(27(2,24)25)15-6-4-3-5-12(15)18/h3-9H,10H2,1-2H3,(H,20,22)