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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(3-methoxyphenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-methoxy-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-3-methoxy-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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