(2S)-3-methyl-2-[(4-methylphenyl)methyl-methylsulfonyl-amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)methyl-methylsulfonyl-amino]butanoate Openeye Name: (2S)-3-methyl-2-[methylsulfonyl(p-tolylmethyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]butanoate IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]butanoate Traditional Name: (2S)-2-[mesyl-(4-methylbenzyl)amino]-3-methyl-butyrate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C(C(C)C)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN([C@@H](C(C)C)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C14H21NO4S/c1-10(2)13(14(16)17)15(20(4,18)19)9-12-7-5-11(3)6-8-12/h5-8,10,13H,9H2,1-4H3,(H,16,17)/p-1/t13-/m0/s1