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

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

Click to see the large picture

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(=CC=C3)Br

Isomeric SMILES

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

InChI

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