N-(2-tert-butylsulfanylethyl)-2-[(2,3-dimethylphenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(2,3-dimethylphenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-2,3-dimethyl-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-2,3-dimethyl-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H30N2O3S2/c1-17-10-9-13-20(18(17)2)24(29(26,27)19-11-7-6-8-12-19)16-21(25)23-14-15-28-22(3,4)5/h6-13H,14-16H2,1-5H3,(H,23,25)