2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(2-tert-butylsulfanylethyl)ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(2-tert-butylsulfanylethyl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C16H25BrN2O3S2 MolecularWeight: 437.4153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25BrN2O3S2/c1-12-10-13(6-7-14(12)17)19(24(5,21)22)11-15(20)18-8-9-23-16(2,3)4/h6-7,10H,8-9,11H2,1-5H3,(H,18,20)