2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(1-ethylpropyl)acetamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H29N3O3S2/c1-3-15(4-2)20-17(22)14-25-18-10-9-16(13-19-18)26(23,24)21-11-7-5-6-8-12-21/h9-10,13,15H,3-8,11-12,14H2,1-2H3,(H,20,22)