2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CO1)C2=CC(=CC=C2)Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CO1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H21BrN2O4S2/c1-26(22,23)20(15-6-2-5-14(18)11-15)12-17(21)19-8-4-10-25-13-16-7-3-9-24-16/h2-3,5-7,9,11H,4,8,10,12-13H2,1H3,(H,19,21)