4-[5-ethoxy-3-(oxan-4-yl)-2-oxidanylidene-benzimidazol-1-yl]sulfonyl-3-methoxy-benzoic acid

Systemtic Name: 4-[5-ethoxy-3-(oxan-4-yl)-2-oxidanylidene-benzimidazol-1-yl]sulfonyl-3-methoxy-benzoic acid Openeye Name: 4-(5-ethoxy-2-oxo-3-tetrahydropyran-4-yl-benzimidazol-1-yl)sulfonyl-3-methoxy-benzoic acid CAS Name: 4-[[5-ethoxy-3-(4-oxanyl)-2-oxo-1-benzimidazolyl]sulfonyl]-3-methoxybenzoic acid IUPAC Name: 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoic acid Traditional Name: 4-(5-ethoxy-2-keto-3-tetrahydropyran-4-yl-benzimidazol-1-yl)sulfonyl-3-methoxy-benzoic acid Formula: C22H24N2O8S MolecularWeight: 476.49956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)N2C3CCOCC3)S(=O)(=O)C4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)N2C3CCOCC3)S(=O)(=O)C4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C22H24N2O8S/c1-3-32-16-5-6-17-18(13-16)23(15-8-10-31-11-9-15)22(27)24(17)33(28,29)20-7-4-14(21(25)26)12-19(20)30-2/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,25,26)