(3S)-3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylazepan-2-one

Systemtic Name: (3S)-3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylazepan-2-one Openeye Name: (3S)-3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-2-azepanone IUPAC Name: (3S)-3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylazepan-2-one Traditional Name: (3S)-3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]azepan-2-one Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3CCCCNC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)S[C@H]3CCCCNC3=O

InChI

InChI=1S/C17H25N3O3S2/c21-17-15(7-3-4-10-18-17)24-16-9-8-14(13-19-16)25(22,23)20-11-5-1-2-6-12-20/h8-9,13,15H,1-7,10-12H2,(H,18,21)/t15-/m0/s1