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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-chloranylpyridin-2-yl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(5-chloro-2-pyridyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(5-chloro-2-pyridinyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-chloropyridin-2-yl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(5-chloro-2-pyridyl)acetamide Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S2/c19-14-5-7-16(20-11-14)22-17(24)13-27-18-8-6-15(12-21-18)28(25,26)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13H2,(H,20,22,24)