[4-[(3-oxidanylnaphthalen-2-yl)carbonylamino]phenyl] 2,4-dimethylbenzenesulfonate

Systemtic Name: [4-[(3-oxidanylnaphthalen-2-yl)carbonylamino]phenyl] 2,4-dimethylbenzenesulfonate Openeye Name: [4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonic acid [4-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 2,4-dimethylbenzenesulfonate Traditional Name: 2,4-dimethylbenzenesulfonic acid [4-[(3-hydroxy-2-naphthoyl)amino]phenyl] ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O)C

InChI

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