4-[[2-methyl-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoate

Systemtic Name: 4-[[2-methyl-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoate Openeye Name: 4-[[2-methyl-5-[(E)-3-oxido-3-oxo-prop-1-enyl]phenyl]sulfonylamino]butanoate CAS Name: 4-[[2-methyl-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoate IUPAC Name: 4-[[2-methyl-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoate Traditional Name: 4-[[5-[(E)-3-keto-3-oxido-prop-1-enyl]-2-methyl-phenyl]sulfonylamino]butyrate Formula: C14H15NO6S-2 MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)[O-])S(=O)(=O)NCCCC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)[O-])S(=O)(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C14H17NO6S/c1-10-4-5-11(6-7-14(18)19)9-12(10)22(20,21)15-8-2-3-13(16)17/h4-7,9,15H,2-3,8H2,1H3,(H,16,17)(H,18,19)/p-2/b7-6+