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

Systemtic Name: ethyl 3-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-bromo-N-tosyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H23BrN2O5S/c1-3-32-24(29)18-6-4-8-20(14-18)26-23(28)16-27(21-9-5-7-19(25)15-21)33(30,31)22-12-10-17(2)11-13-22/h4-15H,3,16H2,1-2H3,(H,26,28)