2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-ethyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-ethyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-ethyl-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-ethyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-ethyl-N-(4-fluorophenyl)acetamide Formula: C21H26FN3O3S2 MolecularWeight: 451.577843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S2/c1-2-25(18-9-7-17(22)8-10-18)21(26)16-29-20-12-11-19(15-23-20)30(27,28)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14,16H2,1H3