N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-tosyl-propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-16-6-8-19(9-7-16)27(24,25)13-10-20(23)22-11-12-26-15-18-5-3-2-4-17(18)14-21/h2-9H,10-13,15H2,1H3,(H,22,23)