4-[(2-methyl-5-methylsulfonyl-phenyl)amino]butanoate

Systemtic Name: 4-[(2-methyl-5-methylsulfonyl-phenyl)amino]butanoate Openeye Name: 4-(2-methyl-5-methylsulfonyl-anilino)butanoate CAS Name: 4-(2-methyl-5-methylsulfonylanilino)butanoate IUPAC Name: 4-(2-methyl-5-methylsulfonylanilino)butanoate Traditional Name: 4-(5-mesyl-2-methyl-anilino)butyrate Formula: C12H16NO4S- MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NCCCC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NCCCC(=O)[O-]

InChI

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