2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-[2-(2-furylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-(2-furanylmethylthio)ethyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-[2-(2-furfurylthio)ethyl]acetamide Formula: C17H21BrN2O4S2 MolecularWeight: 461.39364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C)Br

InChI

InChI=1S/C17H21BrN2O4S2/c1-13-10-14(5-6-16(13)18)20(26(2,22)23)11-17(21)19-7-9-25-12-15-4-3-8-24-15/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,21)