1-(azepan-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H25N3O4S2/c21-17(19-7-3-1-2-4-8-19)14-25-16-6-5-15(13-18-16)26(22,23)20-9-11-24-12-10-20/h5-6,13H,1-4,7-12,14H2