2-[(4-ethoxyphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

Systemtic Name: 2-[(4-ethoxyphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Openeye Name: 2-(4-ethoxy-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)thio]ethyl]propanamide IUPAC Name: 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Traditional Name: 2-(4-ethoxy-N-mesyl-anilino)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NCCSC2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NCCSC2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S2/c1-5-27-19-10-8-18(9-11-19)23(29(4,25)26)17(3)21(24)22-14-15-28-20-12-6-16(2)7-13-20/h6-13,17H,5,14-15H2,1-4H3,(H,22,24)