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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(4-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methyl-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-4-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(=C1)Cl)N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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