[3-[bis-(4-methylphenyl)sulfonylamino]quinoxalin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-[bis-(4-methylphenyl)sulfonylamino]quinoxalin-2-yl] 4-methylbenzenesulfonate Openeye Name: [3-[bis(p-tolylsulfonyl)amino]quinoxalin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[bis-(4-methylphenyl)sulfonylamino]-2-quinoxalinyl] ester IUPAC Name: [3-[bis-(4-methylphenyl)sulfonylamino]quinoxalin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(ditosylamino)quinoxalin-2-yl] ester Formula: C29H25N3O7S3 MolecularWeight: 623.7197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC3=CC=CC=C3N=C2OS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC3=CC=CC=C3N=C2OS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H25N3O7S3/c1-20-8-14-23(15-9-20)40(33,34)32(41(35,36)24-16-10-21(2)11-17-24)28-29(31-27-7-5-4-6-26(27)30-28)39-42(37,38)25-18-12-22(3)13-19-25/h4-19H,1-3H3