N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-mesyl-2-methyl-benzamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C19H20N2O3S2/c1-14-7-8-17(26(2,23)24)11-18(14)19(22)21-9-10-25-13-16-6-4-3-5-15(16)12-20/h3-8,11H,9-10,13H2,1-2H3,(H,21,22)