[4-[(2-methoxyphenyl)carbonylamino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [4-[(2-methoxyphenyl)carbonylamino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [4-[(2-methoxybenzoyl)amino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-methoxybenzoyl)amino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(o-anisoylamino)phenyl] ester Formula: C22H19NO7S MolecularWeight: 441.45376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H19NO7S/c1-27-19-5-3-2-4-18(19)22(24)23-15-6-8-16(9-7-15)30-31(25,26)17-10-11-20-21(14-17)29-13-12-28-20/h2-11,14H,12-13H2,1H3,(H,23,24)