N-(2-tert-butylsulfanylethyl)-2-[(4-methoxyphenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(4-methoxyphenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)SCCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O4S2/c1-21(2,3)28-15-14-22-20(24)16-23(17-8-6-5-7-9-17)29(25,26)19-12-10-18(27-4)11-13-19/h5-13H,14-16H2,1-4H3,(H,22,24)