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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-10(2)7-13(14(17)18)16-21(19,20)9-12-5-3-11(8-15)4-6-12/h3-6,10,13,16H,7,9H2,1-2H3,(H,17,18)/p-1/t13-/m0/s1