methyl 3-[2-[(3-chlorophenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(3-chlorophenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: methyl 3-[2-(3-chloro-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3-chloro-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(3-chloro-N-mesyl-anilino)propanoylamino]benzoic acid methyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H19ClN2O5S/c1-12(21(27(3,24)25)16-9-5-7-14(19)11-16)17(22)20-15-8-4-6-13(10-15)18(23)26-2/h4-12H,1-3H3,(H,20,22)