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

Systemtic Name: 2-[(4-ethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide Openeye Name: 2-(4-ethyl-N-methylsulfonyl-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(4-ethyl-N-mesyl-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NCCCSC2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NCCCSC2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-4-18-8-10-19(11-9-18)23(28(3,25)26)16-21(24)22-14-5-15-27-20-12-6-17(2)7-13-20/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)