[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

InChI

InChI=1S/C20H26N2O5S/c1-15-3-9-18(10-4-15)22(2)19(23)13-27-20(24)17-7-5-16(6-8-17)14-28(25,26)12-11-21/h5-8,15,18H,3-4,9-10,12-14H2,1-2H3