2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclopentyl-ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-cyclopentyl-acetamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCCC3

InChI

InChI=1S/C18H27N3O3S2/c22-17(20-15-7-3-4-8-15)14-25-18-10-9-16(13-19-18)26(23,24)21-11-5-1-2-6-12-21/h9-10,13,15H,1-8,11-12,14H2,(H,20,22)