N-(2-tert-butylsulfanylethyl)-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]benzamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S2/c1-21(2,3)28-15-14-22-20(24)16-6-8-17(9-7-16)23(4)29(25,26)19-12-10-18(27-5)11-13-19/h6-13H,14-15H2,1-5H3,(H,22,24)