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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-ethyl-N-(3-fluoro-4-methoxy-benzyl)acetamide Formula: C23H30FN3O4S2 MolecularWeight: 495.630403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN3O4S2/c1-3-26(16-18-8-10-21(31-2)20(24)14-18)23(28)17-32-22-11-9-19(15-25-22)33(29,30)27-12-6-4-5-7-13-27/h8-11,14-15H,3-7,12-13,16-17H2,1-2H3