3-[[2-[2-(1-oxidanidylquinolin-1-ium-5-yl)ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[2-(1-oxidanidylquinolin-1-ium-5-yl)ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-(1-oxidoquinolin-1-ium-5-yl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[2-(1-oxido-5-quinolin-1-iumyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[2-(1-oxidoquinolin-1-ium-5-yl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[2-[2-(1-oxidoquinolin-1-ium-5-yl)ethoxy]phenyl]sulfonylamino]butyric acid Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCC2=C3C=CC=[N+](C3=CC=C2)[O-])S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C(C(=C1)OCCC2=C3C=CC=[N+](C3=CC=C2)[O-])S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C21H20N2O7S/c24-14-16(13-21(25)26)22-31(28,29)20-9-2-1-8-19(20)30-12-10-15-5-3-7-18-17(15)6-4-11-23(18)27/h1-9,11,14,16,22H,10,12-13H2,(H,25,26)