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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(3,4-dimethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-mesyl-3,4-dimethoxy-anilino)acetamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C21H28N2O5S2/c1-27-19-11-10-18(14-20(19)28-2)23(30(3,25)26)15-21(24)22-12-7-13-29-16-17-8-5-4-6-9-17/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,22,24)