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

Systemtic Name: 1-(azepan-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H27N3O4S2/c1-15(18(22)20-8-4-2-3-5-9-20)26-17-7-6-16(14-19-17)27(23,24)21-10-12-25-13-11-21/h6-7,14-15H,2-5,8-13H2,1H3