methyl 3-[2-[(4-chlorophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-chlorophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[N-(benzenesulfonyl)-4-chloro-anilino]acetyl]amino]benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-4-chloroanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[N-(benzenesulfonyl)-4-chloroanilino]acetyl]amino]benzoate Traditional Name: 3-[[2-(N-besyl-4-chloro-anilino)acetyl]amino]benzoic acid methyl ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19ClN2O5S/c1-30-22(27)16-6-5-7-18(14-16)24-21(26)15-25(19-12-10-17(23)11-13-19)31(28,29)20-8-3-2-4-9-20/h2-14H,15H2,1H3,(H,24,26)