4-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]-2-[3-(2-methylsulfonylphenyl)phenoxy]butanoic acid

Systemtic Name: 4-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]-2-[3-(2-methylsulfonylphenyl)phenoxy]butanoic acid Openeye Name: 4-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]-2-[3-(2-methylsulfonylphenyl)phenoxy]butanoic acid CAS Name: 4-[(5-cyano-2-hydroxyphenyl)sulfonylamino]-2-[3-(2-methylsulfonylphenyl)phenoxy]butanoic acid IUPAC Name: 4-[(5-cyano-2-hydroxyphenyl)sulfonylamino]-2-[3-(2-methylsulfonylphenyl)phenoxy]butanoic acid Traditional Name: 4-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]-2-[3-(2-mesylphenyl)phenoxy]butyric acid Formula: C24H22N2O8S2 MolecularWeight: 530.57008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=CC=C2)OC(CCNS(=O)(=O)C3=C(C=CC(=C3)C#N)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=CC=C2)OC(CCNS(=O)(=O)C3=C(C=CC(=C3)C#N)O)C(=O)O

InChI

InChI=1S/C24H22N2O8S2/c1-35(30,31)22-8-3-2-7-19(22)17-5-4-6-18(14-17)34-21(24(28)29)11-12-26-36(32,33)23-13-16(15-25)9-10-20(23)27/h2-10,13-14,21,26-27H,11-12H2,1H3,(H,28,29)