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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methyl-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-3-chloro-2-methyl-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C21H27ClN2O3S2 MolecularWeight: 455.03368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27ClN2O3S2/c1-16-18(22)11-8-12-19(16)24(29(26,27)17-9-6-5-7-10-17)15-20(25)23-13-14-28-21(2,3)4/h5-12H,13-15H2,1-4H3,(H,23,25)