N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H20ClN3O4S2 MolecularWeight: 441.9521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H20ClN3O4S2/c19-15-8-7-14(28(25,26)21-9-3-1-4-10-21)12-16(15)20-17(23)13-27-18-6-2-5-11-22(18)24/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,20,23)