methyl 4-[(4-methylsulfonylphenyl)amino]butanoate

Systemtic Name: methyl 4-[(4-methylsulfonylphenyl)amino]butanoate Openeye Name: methyl 4-(4-methylsulfonylanilino)butanoate CAS Name: 4-(4-methylsulfonylanilino)butanoic acid methyl ester IUPAC Name: methyl 4-(4-methylsulfonylanilino)butanoate Traditional Name: 4-(4-mesylanilino)butyric acid methyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCCNC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-17-12(14)4-3-9-13-10-5-7-11(8-6-10)18(2,15)16/h5-8,13H,3-4,9H2,1-2H3