2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(3-fluoro-4-methoxy-benzyl)-N-methyl-acetamide Formula: C22H28FN3O4S2 MolecularWeight: 481.603823

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28FN3O4S2/c1-25(15-17-7-9-20(30-2)19(23)13-17)22(27)16-31-21-10-8-18(14-24-21)32(28,29)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3