3-[[6-methoxy-2-(2-quinolin-4-ylethoxy)pyridin-3-yl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-methoxy-2-(2-quinolin-4-ylethoxy)pyridin-3-yl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-methoxy-2-[2-(4-quinolyl)ethoxy]-3-pyridyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[6-methoxy-2-[2-(4-quinolinyl)ethoxy]-3-pyridinyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[6-methoxy-2-(2-quinolin-4-ylethoxy)pyridin-3-yl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[6-methoxy-2-[2-(4-quinolyl)ethoxy]-3-pyridyl]sulfonylamino]butyric acid Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CC=NC3=CC=CC=C23

Isomeric SMILES

COC1=NC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C21H21N3O7S/c1-30-19-7-6-18(32(28,29)24-15(13-25)12-20(26)27)21(23-19)31-11-9-14-8-10-22-17-5-3-2-4-16(14)17/h2-8,10,13,15,24H,9,11-12H2,1H3,(H,26,27)