2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(3-cyano-2-thienyl)acetamide Formula: C18H20N4O3S3 MolecularWeight: 436.5714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C18H20N4O3S3/c19-11-14-7-10-26-18(14)21-16(23)13-27-17-6-5-15(12-20-17)28(24,25)22-8-3-1-2-4-9-22/h5-7,10,12H,1-4,8-9,13H2,(H,21,23)