methyl 2-[2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[N-(benzenesulfonyl)-3-bromo-anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]benzoate Traditional Name: 2-[[2-(N-besyl-3-bromo-anilino)acetyl]amino]benzoic acid methyl ester Formula: C22H19BrN2O5S MolecularWeight: 503.36566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19BrN2O5S/c1-30-22(27)19-12-5-6-13-20(19)24-21(26)15-25(17-9-7-8-16(23)14-17)31(28,29)18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,24,26)