methyl 3-[2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-bromo-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-bromo-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O5S/c1-16-6-12-21(13-7-16)32(29,30)26(20-10-8-18(24)9-11-20)15-22(27)25-19-5-3-4-17(14-19)23(28)31-2/h3-14H,15H2,1-2H3,(H,25,27)