[cyano-[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [cyano-[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl] 4-methylbenzenesulfonate Openeye Name: [cyano-[4-(p-tolylsulfonylamino)phenyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [cyano-[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl] ester IUPAC Name: [cyano-[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [cyano-[4-(tosylamino)phenyl]methyl] ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C#N)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C#N)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H20N2O5S2/c1-16-3-11-20(12-4-16)30(25,26)24-19-9-7-18(8-10-19)22(15-23)29-31(27,28)21-13-5-17(2)6-14-21/h3-14,22,24H,1-2H3