(2S,3S)-3-methyl-2-[(3-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(3-methylphenyl)sulfonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-(m-tolylsulfonylamino)pentanoate CAS Name: (2S,3S)-3-methyl-2-[(3-methylphenyl)sulfonylamino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(3-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-(m-tolylsulfonylamino)valerate Formula: C13H18NO4S- MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NS(=O)(=O)C1=CC=CC(=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-4-10(3)12(13(15)16)14-19(17,18)11-7-5-6-9(2)8-11/h5-8,10,12,14H,4H2,1-3H3,(H,15,16)/p-1/t10-,12-/m0/s1