N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[5-(1-piperidylsulfonyl)-2-thienyl]acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(5-piperidinosulfonyl-2-thienyl)acetamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H25N3O3S3/c22-15-17-6-2-3-7-18(17)16-28-13-10-23-20(25)14-19-8-9-21(29-19)30(26,27)24-11-4-1-5-12-24/h2-3,6-9H,1,4-5,10-14,16H2,(H,23,25)