[3-[(3-oxidanylnaphthalen-2-yl)carbonylamino]phenyl] 2-ethylbenzenesulfonate

Systemtic Name: [3-[(3-oxidanylnaphthalen-2-yl)carbonylamino]phenyl] 2-ethylbenzenesulfonate Openeye Name: [3-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 2-ethylbenzenesulfonate CAS Name: 2-ethylbenzenesulfonic acid [3-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 2-ethylbenzenesulfonate Traditional Name: 2-ethylbenzenesulfonic acid [3-[(3-hydroxy-2-naphthoyl)amino]phenyl] ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1S(=O)(=O)OC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

CCC1=CC=CC=C1S(=O)(=O)OC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C25H21NO5S/c1-2-17-8-5-6-13-24(17)32(29,30)31-21-12-7-11-20(16-21)26-25(28)22-14-18-9-3-4-10-19(18)15-23(22)27/h3-16,27H,2H2,1H3,(H,26,28)