N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-3-nitro-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C17H19N4O7S2+ MolecularWeight: 455.48536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S2/c1-28-16-8-7-14(11-15(16)21(22)23)29(24,25)19-12-4-2-5-13(10-12)30(26,27)20-17-6-3-9-18-17/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H,18,20)/p+1