N-(2-tert-butylsulfanylethyl)-2-[(3,4-dimethylphenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(3,4-dimethylphenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3,4-dimethyl-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-3,4-dimethyl-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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