(2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(4-cyanobenzyl)sulfonylamino]-3-methyl-valerate Formula: C14H17N2O4S- MolecularWeight: 309.36078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NS(=O)(=O)CC1=CC=C(C=C1)C#N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NS(=O)(=O)CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H18N2O4S/c1-3-10(2)13(14(17)18)16-21(19,20)9-12-6-4-11(8-15)5-7-12/h4-7,10,13,16H,3,9H2,1-2H3,(H,17,18)/p-1/t10-,13-/m0/s1