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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-cyclopropyl-acetamide Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CC3

InChI

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