2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C20H24ClN3O4S2 MolecularWeight: 470.00526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24ClN3O4S2/c1-28-18-8-6-15(21)12-17(18)23-19(25)14-29-20-9-7-16(13-22-20)30(26,27)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,25)