N-(2-tert-butylsulfanylethyl)-2-[(3-chloranyl-4-methoxy-phenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(3-chloranyl-4-methoxy-phenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxy-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-3-chloro-4-methoxy-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C21H27ClN2O4S2 MolecularWeight: 471.03308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4S2/c1-21(2,3)29-13-12-23-20(25)15-24(16-10-11-19(28-4)18(22)14-16)30(26,27)17-8-6-5-7-9-17/h5-11,14H,12-13,15H2,1-4H3,(H,23,25)