3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylazepan-2-one Openeye Name: 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]azepan-2-one CAS Name: 3-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-2-azepanone IUPAC Name: 3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]azepan-2-one Formula: C15H21N3O3S2 MolecularWeight: 355.47554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C15H21N3O3S2/c19-15-13(5-1-2-8-16-15)22-14-7-6-12(11-17-14)23(20,21)18-9-3-4-10-18/h6-7,11,13H,1-5,8-10H2,(H,16,19)