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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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