(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]heptanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]heptanoic acid Openeye Name: (2S,3S)-3-methyl-2-(p-tolylsulfonylamino)heptanoic acid CAS Name: (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]heptanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]heptanoic acid Traditional Name: (2S,3S)-3-methyl-2-(tosylamino)enanthic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO4S/c1-4-5-6-12(3)14(15(17)18)16-21(19,20)13-9-7-11(2)8-10-13/h7-10,12,14,16H,4-6H2,1-3H3,(H,17,18)/t12-,14-/m0/s1