2-(ethylsulfanylmethyl)-N-methyl-N-[(E)-4-(4-methylphenyl)sulfonylbut-3-enyl]benzamide

Systemtic Name: 2-(ethylsulfanylmethyl)-N-methyl-N-[(E)-4-(4-methylphenyl)sulfonylbut-3-enyl]benzamide Openeye Name: 2-(ethylsulfanylmethyl)-N-methyl-N-[(E)-4-(p-tolylsulfonyl)but-3-enyl]benzamide CAS Name: 2-[(ethylthio)methyl]-N-methyl-N-[(E)-4-(4-methylphenyl)sulfonylbut-3-enyl]benzamide IUPAC Name: 2-(ethylsulfanylmethyl)-N-methyl-N-[(E)-4-(4-methylphenyl)sulfonylbut-3-enyl]benzamide Traditional Name: 2-[(ethylthio)methyl]-N-methyl-N-[(E)-4-tosylbut-3-enyl]benzamide Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=CC=C1C(=O)N(C)CCC=CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCSCC1=CC=CC=C1C(=O)N(C)CC/C=C/S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO3S2/c1-4-27-17-19-9-5-6-10-21(19)22(24)23(3)15-7-8-16-28(25,26)20-13-11-18(2)12-14-20/h5-6,8-14,16H,4,7,15,17H2,1-3H3/b16-8+