[(1R)-1-cyanoethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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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)OC(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C18H18N2O4S/c1-13-4-10-17(11-5-13)25(22,23)20(3)16-8-6-15(7-9-16)18(21)24-14(2)12-19/h4-11,14H,1-3H3/t14-/m1/s1