7-[(4-methylsulfonylphenyl)amino]heptanoic acid

Systemtic Name: 7-[(4-methylsulfonylphenyl)amino]heptanoic acid Openeye Name: 7-(4-methylsulfonylanilino)heptanoic acid CAS Name: 7-(4-methylsulfonylanilino)heptanoic acid IUPAC Name: 7-(4-methylsulfonylanilino)heptanoic acid Traditional Name: 7-(4-mesylanilino)enanthic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NCCCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NCCCCCCC(=O)O

InChI

InChI=1S/C14H21NO4S/c1-20(18,19)13-9-7-12(8-10-13)15-11-5-3-2-4-6-14(16)17/h7-10,15H,2-6,11H2,1H3,(H,16,17)