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

Systemtic Name: 2-[(3-methoxyphenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(3-methoxy-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-mesyl-3-methoxy-anilino)acetamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S2/c1-26-19-11-6-10-18(14-19)22(28(2,24)25)15-20(23)21-12-7-13-27-16-17-8-4-3-5-9-17/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3,(H,21,23)