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

Systemtic Name: N-aminocarbonyl-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-carbamoyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-carbamoylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-carbamoylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-carbamoyl-acetamide Formula: C14H20N4O4S2 MolecularWeight: 372.463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)N

InChI

InChI=1S/C14H20N4O4S2/c15-14(20)17-12(19)10-23-13-6-5-11(9-16-13)24(21,22)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H3,15,17,19,20)