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

Systemtic Name: 2-[methylsulfonyl-(4-propoxyphenyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-4-propoxy-anilino)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(N-methylsulfonyl-4-propoxyanilino)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-4-propoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(N-mesyl-4-propoxy-anilino)-N-[3-(phenylthio)propyl]acetamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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