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

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(3-bromo-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(3-bromo-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(3-bromo-N-mesyl-anilino)acetamide Formula: C19H23BrN2O3S2 MolecularWeight: 471.43152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC(=CC=C2)Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C19H23BrN2O3S2/c1-27(24,25)22(18-10-5-9-17(20)13-18)14-19(23)21-11-6-12-26-15-16-7-3-2-4-8-16/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,21,23)