2-[(3-ethoxyphenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide

Systemtic Name: 2-[(3-ethoxyphenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide Openeye Name: 2-(3-ethoxy-N-methylsulfonyl-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(3-ethoxy-N-mesyl-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC(=O)NCCCSC2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NCCCSC2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S2/c1-4-27-19-8-5-7-18(15-19)23(29(3,25)26)16-21(24)22-13-6-14-28-20-11-9-17(2)10-12-20/h5,7-12,15H,4,6,13-14,16H2,1-3H3,(H,22,24)