3-[[2-[3-(benzimidazol-1-yl)butan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[3-(benzimidazol-1-yl)butan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-(benzimidazol-1-yl)-1-methyl-propoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[3-(1-benzimidazolyl)butan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[3-(benzimidazol-1-yl)butan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[2-[2-(benzimidazol-1-yl)-1-methyl-propoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OC1=CC=CC=C1S(=O)(=O)NC(CC(=O)O)C=O)N2C=NC3=CC=CC=C32

Isomeric SMILES

CC(C(C)OC1=CC=CC=C1S(=O)(=O)NC(CC(=O)O)C=O)N2C=NC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O6S/c1-14(24-13-22-17-7-3-4-8-18(17)24)15(2)30-19-9-5-6-10-20(19)31(28,29)23-16(12-25)11-21(26)27/h3-10,12-16,23H,11H2,1-2H3,(H,26,27)