tert-butyl 2-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]sulfanylethanoate Openeye Name: tert-butyl 2-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]sulfanylacetate CAS Name: 2-[[4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]sulfanylacetate Traditional Name: 2-[[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]thio]acetic acid tert-butyl ester Formula: C23H27N3O6S2 MolecularWeight: 505.60698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H27N3O6S2/c1-23(2,3)32-21(27)16-33-20-11-9-19(10-12-20)26(13-14-31-34(4,29)30)22(28)25-18-7-5-17(15-24)6-8-18/h5-12H,13-14,16H2,1-4H3,(H,25,28)