2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(methylcarbamoyl)propanamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(methylcarbamoyl)propionamide Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C(=O)NC(=O)NC)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N4O4S2/c1-12(15(21)19-16(22)17-2)25-14-8-7-13(11-18-14)26(23,24)20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,17,19,21,22)