(3S)-3-[(4-methylphenyl)sulfonylamino]octanoic acid

Systemtic Name: (3S)-3-[(4-methylphenyl)sulfonylamino]octanoic acid Openeye Name: (3S)-3-(p-tolylsulfonylamino)octanoic acid CAS Name: (3S)-3-[(4-methylphenyl)sulfonylamino]octanoic acid IUPAC Name: (3S)-3-[(4-methylphenyl)sulfonylamino]octanoic acid Traditional Name: (3S)-3-(tosylamino)caprylic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC[C@@H](CC(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H23NO4S/c1-3-4-5-6-13(11-15(17)18)16-21(19,20)14-9-7-12(2)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3,(H,17,18)/t13-/m0/s1