3-methyl-2-[[4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[(E)-3-morpholino-3-oxo-prop-1-enyl]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 2-[[4-[(E)-3-keto-3-morpholino-prop-1-enyl]phenyl]sulfonylamino]-3-methyl-butyric acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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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)N2CCOCC2

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCOCC2

InChI

InChI=1S/C18H24N2O6S/c1-13(2)17(18(22)23)19-27(24,25)15-6-3-14(4-7-15)5-8-16(21)20-9-11-26-12-10-20/h3-8,13,17,19H,9-12H2,1-2H3,(H,22,23)/b8-5+