N-(2-tert-butylsulfanylethyl)-2-[(4-methylphenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(4-methylphenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-methyl-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-4-methyl-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-17-10-12-18(13-11-17)23(28(25,26)19-8-6-5-7-9-19)16-20(24)22-14-15-27-21(2,3)4/h5-13H,14-16H2,1-4H3,(H,22,24)