[3-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(o-tolylsulfonylcarbamoylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[[(2-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(o-tolylsulfonylcarbamoylamino)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)OC2=CC=CC(=C2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C

InChI

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