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

Systemtic Name: (2S,3S)-2-[(2-cyanophenyl)sulfonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(2-cyanophenyl)sulfonylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(2-cyanophenyl)sulfonylamino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(2-cyanophenyl)sulfonylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(2-cyanophenyl)sulfonylamino]-3-methyl-valerate Formula: C13H15N2O4S- MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C#N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C#N

InChI

InChI=1S/C13H16N2O4S/c1-3-9(2)12(13(16)17)15-20(18,19)11-7-5-4-6-10(11)8-14/h4-7,9,12,15H,3H2,1-2H3,(H,16,17)/p-1/t9-,12-/m0/s1