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

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H18ClN3O4S2 MolecularWeight: 427.92552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18ClN3O4S2/c18-14-7-6-13(27(24,25)20-8-3-4-9-20)11-15(14)19-16(22)12-26-17-5-1-2-10-21(17)23/h1-2,5-7,10-11H,3-4,8-9,12H2,(H,19,22)