4-[2-(3-nitrophenyl)sulfonylethyl]pyridine hydrochloride

Systemtic Name: 4-[2-(3-nitrophenyl)sulfonylethyl]pyridine hydrochloride Openeye Name: 4-[2-(3-nitrophenyl)sulfonylethyl]pyridine hydrochloride CAS Name: 4-[2-(3-nitrophenyl)sulfonylethyl]pyridine hydrochloride IUPAC Name: 4-[2-(3-nitrophenyl)sulfonylethyl]pyridine hydrochloride Traditional Name: 4-[2-(3-nitrophenyl)sulfonylethyl]pyridine hydrochloride Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCC2=CC=NC=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCC2=CC=NC=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H12N2O4S.ClH/c16-15(17)12-2-1-3-13(10-12)20(18,19)9-6-11-4-7-14-8-5-11;/h1-5,7-8,10H,6,9H2;1H