(3-methylphenyl) 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate

Systemtic Name: (3-methylphenyl) 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Openeye Name: m-tolyl 3-(p-tolylsulfonylcarbamoylamino)benzenesulfonate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzenesulfonic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Traditional Name: 3-(tosylcarbamoylamino)benzenesulfonic acid m-tolyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)OC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)OC3=CC=CC(=C3)C

InChI

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