(2R)-3-methyl-2-[[4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoate

Systemtic Name: (2R)-3-methyl-2-[[4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoate Openeye Name: (2R)-3-methyl-2-[[4-[(E)-3-oxido-3-oxo-prop-1-enyl]phenyl]sulfonylamino]butanoate CAS Name: (2R)-3-methyl-2-[[4-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoate IUPAC Name: (2R)-3-methyl-2-[[4-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoate Traditional Name: (2R)-2-[[4-[(E)-3-keto-3-oxido-prop-1-enyl]phenyl]sulfonylamino]-3-methyl-butyrate Formula: C14H15NO6S-2 MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6S/c1-9(2)13(14(18)19)15-22(20,21)11-6-3-10(4-7-11)5-8-12(16)17/h3-9,13,15H,1-2H3,(H,16,17)(H,18,19)/p-2/b8-5+/t13-/m1/s1