(4-methylphenyl) 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate

Systemtic Name: (4-methylphenyl) 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Openeye Name: p-tolyl 4-(p-tolylsulfonylcarbamoylamino)benzenesulfonate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Traditional Name: 4-(tosylcarbamoylamino)benzenesulfonic acid p-tolyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

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