2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]ethanamide Openeye Name: 2-(4-bromo-N-methylsulfonyl-anilino)-N-[3-(2-furylmethylsulfanyl)propyl]acetamide CAS Name: 2-(4-bromo-N-methylsulfonylanilino)-N-[3-(2-furanylmethylthio)propyl]acetamide IUPAC Name: 2-(4-bromo-N-methylsulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide Traditional Name: 2-(4-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=C(C=C2)Br

Isomeric SMILES

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

InChI

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