2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-tert-butylsulfanylethyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-tert-butylsulfanylethyl)ethanamide Openeye Name: 2-[4-bromo-N-(p-tolylsulfonyl)anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(4-bromo-N-tosyl-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C21H27BrN2O3S2 MolecularWeight: 499.48468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3S2/c1-16-5-11-19(12-6-16)29(26,27)24(18-9-7-17(22)8-10-18)15-20(25)23-13-14-28-21(2,3)4/h5-12H,13-15H2,1-4H3,(H,23,25)