2-[[3,5-dimethyl-4-(3-morpholin-4-ylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-dimethyl-4-(3-morpholin-4-ylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(4-hydroxy-3-morpholinosulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[4-hydroxy-3-(4-morpholinylsulfonyl)phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-(4-hydroxy-3-morpholin-4-ylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-(4-hydroxy-3-morpholinosulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCOCC3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCOCC3)C)NC(=O)C(=O)O

InChI

InChI=1S/C20H22N2O8S/c1-12-9-14(21-19(24)20(25)26)10-13(2)18(12)30-15-3-4-16(23)17(11-15)31(27,28)22-5-7-29-8-6-22/h3-4,9-11,23H,5-8H2,1-2H3,(H,21,24)(H,25,26)