(3S)-3-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylazepan-2-one

Systemtic Name: (3S)-3-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylazepan-2-one Openeye Name: (3S)-3-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-2-azepanone IUPAC Name: (3S)-3-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylazepan-2-one Traditional Name: (3S)-3-[(5-piperidinosulfonyl-2-pyridyl)thio]azepan-2-one Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3CCCCNC3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)S[C@H]3CCCCNC3=O

InChI

InChI=1S/C16H23N3O3S2/c20-16-14(6-2-3-9-17-16)23-15-8-7-13(12-18-15)24(21,22)19-10-4-1-5-11-19/h7-8,12,14H,1-6,9-11H2,(H,17,20)/t14-/m0/s1