2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-chloranyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-chloranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(5-chloro-2-nitro-phenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(5-chloro-2-nitrophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-chloro-2-nitrophenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(5-chloro-2-nitro-phenyl)acetamide Formula: C19H21ClN4O5S2 MolecularWeight: 484.97684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O5S2/c20-14-5-7-17(24(26)27)16(11-14)22-18(25)13-30-19-8-6-15(12-21-19)31(28,29)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13H2,(H,22,25)