1-(4-fluorophenyl)carbonyl-3-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-azepan-2-one

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-azepan-2-one Openeye Name: 1-(4-fluorobenzoyl)-3-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]azepan-2-one CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-2-azepanone IUPAC Name: 1-(4-fluorobenzoyl)-3-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylazepan-2-one Traditional Name: 1-(4-fluorobenzoyl)-3-[(5-morpholinosulfonyl-2-pyridyl)thio]azepan-2-one Formula: C22H24FN3O5S2 MolecularWeight: 493.571463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O5S2/c23-17-6-4-16(5-7-17)21(27)26-10-2-1-3-19(22(26)28)32-20-9-8-18(15-24-20)33(29,30)25-11-13-31-14-12-25/h4-9,15,19H,1-3,10-14H2