methyl 2-[2-[(4-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[N-(benzenesulfonyl)-4-bromo-anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzoate Traditional Name: 2-[[2-(N-besyl-4-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=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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