[3-[(8-acetamido-1-oxidanidyl-quinolin-1-ium-5-yl)sulfonylmethyl]phenyl] ethanoate

Systemtic Name: [3-[(8-acetamido-1-oxidanidyl-quinolin-1-ium-5-yl)sulfonylmethyl]phenyl] ethanoate Openeye Name: [3-[(8-acetamido-1-oxido-quinolin-1-ium-5-yl)sulfonylmethyl]phenyl] acetate CAS Name: acetic acid [3-[(8-acetamido-1-oxido-5-quinolin-1-iumyl)sulfonylmethyl]phenyl] ester IUPAC Name: [3-[(8-acetamido-1-oxidoquinolin-1-ium-5-yl)sulfonylmethyl]phenyl] acetate Traditional Name: acetic acid [3-[(8-acetamido-1-oxido-quinolin-1-ium-5-yl)sulfonylmethyl]phenyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)CC3=CC(=CC=C3)OC(=O)C)C=CC=[N+]2[O-]

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)CC3=CC(=CC=C3)OC(=O)C)C=CC=[N+]2[O-]

InChI

InChI=1S/C20H18N2O6S/c1-13(23)21-18-8-9-19(17-7-4-10-22(25)20(17)18)29(26,27)12-15-5-3-6-16(11-15)28-14(2)24/h3-11H,12H2,1-2H3,(H,21,23)