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

Systemtic Name: 4-(3-cyclopentyl-5-ethoxy-2-oxidanylidene-benzimidazol-1-yl)sulfonyl-3-methoxy-benzoic acid Openeye Name: 4-(3-cyclopentyl-5-ethoxy-2-oxo-benzimidazol-1-yl)sulfonyl-3-methoxy-benzoic acid CAS Name: 4-[(3-cyclopentyl-5-ethoxy-2-oxo-1-benzimidazolyl)sulfonyl]-3-methoxybenzoic acid IUPAC Name: 4-(3-cyclopentyl-5-ethoxy-2-oxobenzimidazol-1-yl)sulfonyl-3-methoxybenzoic acid Traditional Name: 4-(3-cyclopentyl-5-ethoxy-2-keto-benzimidazol-1-yl)sulfonyl-3-methoxy-benzoic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)N2C3CCCC3)S(=O)(=O)C4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)N2C3CCCC3)S(=O)(=O)C4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C22H24N2O7S/c1-3-31-16-9-10-17-18(13-16)23(15-6-4-5-7-15)22(27)24(17)32(28,29)20-11-8-14(21(25)26)12-19(20)30-2/h8-13,15H,3-7H2,1-2H3,(H,25,26)