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

Systemtic Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-4-propoxy-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: N-[3-[(4-methylphenyl)thio]propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide Traditional Name: 2-(N-mesyl-4-propoxy-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NCCCSC2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NCCCSC2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O4S2/c1-4-15-28-20-10-8-19(9-11-20)24(30(3,26)27)17-22(25)23-14-5-16-29-21-12-6-18(2)7-13-21/h6-13H,4-5,14-17H2,1-3H3,(H,23,25)