3-[[3-methyl-2-(2-methylphenoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3-methyl-2-(2-methylphenoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[3-methyl-2-(2-methylphenoxy)phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[3-methyl-2-(2-methylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[3-methyl-2-(2-methylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[3-methyl-2-(2-methylphenoxy)phenyl]sulfonylamino]butyric acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)NC(CC(=O)O)C=O)OC2=CC=CC=C2C

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)NC(CC(=O)O)C=O)OC2=CC=CC=C2C

InChI

InChI=1S/C18H19NO6S/c1-12-6-3-4-8-15(12)25-18-13(2)7-5-9-16(18)26(23,24)19-14(11-20)10-17(21)22/h3-9,11,14,19H,10H2,1-2H3,(H,21,22)