7-[(2-methylsulfonylphenyl)amino]heptanoic acid

Systemtic Name: 7-[(2-methylsulfonylphenyl)amino]heptanoic acid Openeye Name: 7-(2-methylsulfonylanilino)heptanoic acid CAS Name: 7-(2-methylsulfonylanilino)heptanoic acid IUPAC Name: 7-(2-methylsulfonylanilino)heptanoic acid Traditional Name: 7-(2-mesylanilino)enanthic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NCCCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NCCCCCCC(=O)O

InChI

InChI=1S/C14H21NO4S/c1-20(18,19)13-9-6-5-8-12(13)15-11-7-3-2-4-10-14(16)17/h5-6,8-9,15H,2-4,7,10-11H2,1H3,(H,16,17)