[3-[aminocarbonyl-(4-methylphenyl)sulfonyl-amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[aminocarbonyl-(4-methylphenyl)sulfonyl-amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[carbamoyl(p-tolylsulfonyl)amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[carbamoyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [3-[carbamoyl-(4-methylphenyl)sulfonylamino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[carbamoyl(tosyl)amino]phenyl] ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S2/c1-15-6-10-19(11-7-15)30(25,26)23(21(22)24)17-4-3-5-18(14-17)29-31(27,28)20-12-8-16(2)9-13-20/h3-14H,1-2H3,(H2,22,24)