3-[[7-methoxy-2-(methoxymethyl)-1H-benzimidazol-4-yl]sulfonyl]-7-phenyl-heptanoic acid

Systemtic Name: 3-[[7-methoxy-2-(methoxymethyl)-1H-benzimidazol-4-yl]sulfonyl]-7-phenyl-heptanoic acid Openeye Name: 3-[[7-methoxy-2-(methoxymethyl)-1H-benzimidazol-4-yl]sulfonyl]-7-phenyl-heptanoic acid CAS Name: 3-[[7-methoxy-2-(methoxymethyl)-1H-benzimidazol-4-yl]sulfonyl]-7-phenylheptanoic acid IUPAC Name: 3-[[7-methoxy-2-(methoxymethyl)-1H-benzimidazol-4-yl]sulfonyl]-7-phenylheptanoic acid Traditional Name: 3-[[7-methoxy-2-(methoxymethyl)-1H-benzimidazol-4-yl]sulfonyl]-7-phenyl-enanthic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC2=C(C=CC(=C2N1)OC)S(=O)(=O)C(CCCCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

COCC1=NC2=C(C=CC(=C2N1)OC)S(=O)(=O)C(CCCCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-30-15-20-24-22-18(31-2)12-13-19(23(22)25-20)32(28,29)17(14-21(26)27)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-13,17H,6-7,10-11,14-15H2,1-2H3,(H,24,25)(H,26,27)