N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C17H19ClN3O4S+ MolecularWeight: 396.86846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C17H18ClN3O4S/c18-15-6-5-14(26(24,25)21-8-1-2-9-21)10-16(15)19-17(23)12-20-7-3-4-13(22)11-20/h3-7,10-11H,1-2,8-9,12H2,(H-,19,22,23)/p+1