(2S,3S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-valerate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-5-9(2)13(14(16)17)15-20(18,19)12-7-6-10(3)11(4)8-12/h6-9,13,15H,5H2,1-4H3,(H,16,17)/p-1/t9-,13-/m0/s1