[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] 2,3-dihydrobenzofuran-5-sulfonate CAS Name: 2,3-dihydrobenzofuran-5-sulfonic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate Traditional Name: coumaran-5-sulfonic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H21NO6S2/c1-16-3-9-20(10-4-16)30(24,25)23(2)18-5-7-19(8-6-18)29-31(26,27)21-11-12-22-17(15-21)13-14-28-22/h3-12,15H,13-14H2,1-2H3