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

Systemtic Name: 2-[(3-ethoxyphenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(3-ethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(3-ethoxy-N-mesyl-anilino)acetamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S2/c1-3-27-20-12-7-11-19(15-20)23(29(2,25)26)16-21(24)22-13-8-14-28-17-18-9-5-4-6-10-18/h4-7,9-12,15H,3,8,13-14,16-17H2,1-2H3,(H,22,24)