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

Systemtic Name: methyl 4-[[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3-chloro-N-methylsulfonyl-anilino)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(3-chloro-N-methylsulfonylanilino)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(3-chloro-N-mesyl-anilino)acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S/c1-26-18(23)14-8-6-13(7-9-14)11-20-17(22)12-21(27(2,24)25)16-5-3-4-15(19)10-16/h3-10H,11-12H2,1-2H3,(H,20,22)