cyanomethyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: cyanomethyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: cyanomethyl 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid cyanomethyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC#N

InChI

InChI=1S/C17H16N2O4S/c1-13-3-9-16(10-4-13)24(21,22)19(2)15-7-5-14(6-8-15)17(20)23-12-11-18/h3-10H,12H2,1-2H3