N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-[4-(2-thienylsulfonyl)piperazino]acetamide Formula: C20H24N4O3S3 MolecularWeight: 464.62456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1CC(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O3S3/c21-14-17-4-1-2-5-18(17)16-28-13-7-22-19(25)15-23-8-10-24(11-9-23)30(26,27)20-6-3-12-29-20/h1-6,12H,7-11,13,15-16H2,(H,22,25)