2-[methanoyl-(4-methylphenyl)amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[methanoyl-(4-methylphenyl)amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-(N-formyl-4-methyl-anilino)-4-methylsulfonyl-butanoic acid CAS Name: 2-(N-formyl-4-methylanilino)-4-methylsulfonylbutanoic acid IUPAC Name: 2-(N-formyl-4-methylanilino)-4-methylsulfonylbutanoic acid Traditional Name: 2-(N-formyl-4-methyl-anilino)-4-mesyl-butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C=O)C(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(C=O)C(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-10-3-5-11(6-4-10)14(9-15)12(13(16)17)7-8-20(2,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)