1-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]pyrrolidin-2-one Openeye Name: 1-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]pyrrolidin-2-one CAS Name: 1-[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]pyrrolidin-2-one Traditional Name: 1-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-2-pyrrolidone Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCCC3=O

InChI

InChI=1S/C17H23N3O4S2/c21-16-6-5-11-20(16)17(22)13-25-15-8-7-14(12-18-15)26(23,24)19-9-3-1-2-4-10-19/h7-8,12H,1-6,9-11,13H2