2-[(3,4-dichlorophenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(3,4-dichlorophenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(3,4-dichloro-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(3,4-dichloro-N-mesyl-anilino)acetamide Formula: C19H22Cl2N2O3S2 MolecularWeight: 461.42558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O3S2/c1-28(25,26)23(16-8-9-17(20)18(21)12-16)13-19(24)22-10-5-11-27-14-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,24)