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

Systemtic Name: 2-[methylsulfonyl-(4-propoxyphenyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(N-methylsulfonyl-4-propoxy-anilino)acetamide CAS Name: 2-(N-methylsulfonyl-4-propoxyanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-mesyl-4-propoxy-anilino)acetamide Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O4S2/c1-3-15-28-21-12-10-20(11-13-21)24(30(2,26)27)17-22(25)23-14-7-16-29-18-19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-18H2,1-2H3,(H,23,25)