2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]-N-(2-tert-butylsulfanylethyl)ethanamide

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]-N-(2-tert-butylsulfanylethyl)ethanamide Openeye Name: 2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C22H29BrN2O4S2 MolecularWeight: 529.51066

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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(=C(C=C2)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O4S2/c1-16-6-8-17(9-7-16)25(15-21(26)24-12-13-30-22(2,3)4)31(27,28)18-10-11-20(29-5)19(23)14-18/h6-11,14H,12-13,15H2,1-5H3,(H,24,26)