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

Systemtic Name: (2-methylphenyl) 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Openeye Name: o-tolyl 3-(p-tolylsulfonylcarbamoylamino)benzenesulfonate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Traditional Name: 3-(tosylcarbamoylamino)benzenesulfonic acid o-tolyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

Click to see the large picture

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=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)OC3=CC=CC=C3C

InChI

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