N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H18ClN3O5S2 MolecularWeight: 443.92492

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18ClN3O5S2/c18-14-5-4-13(28(24,25)20-7-9-26-10-8-20)11-15(14)19-16(22)12-27-17-3-1-2-6-21(17)23/h1-6,11H,7-10,12H2,(H,19,22)