methyl 4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate

Systemtic Name: methyl 4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate Openeye Name: methyl 4-[2-(N-methylsulfonylanilino)butanoylamino]benzoate CAS Name: 4-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[2-(N-mesylanilino)butanoylamino]benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-4-17(21(27(3,24)25)16-8-6-5-7-9-16)18(22)20-15-12-10-14(11-13-15)19(23)26-2/h5-13,17H,4H2,1-3H3,(H,20,22)