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

Systemtic Name: methyl 3-[2-[(3-chlorophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[N-(benzenesulfonyl)-3-chloro-anilino]acetyl]amino]benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-3-chloroanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]amino]benzoate Traditional Name: 3-[[2-(N-besyl-3-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(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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