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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C17H18N4O6S2/c1-12-7-8-14(21(22)23)11-16(12)29(26,27)19-13-4-2-5-15(10-13)28(24,25)20-17-6-3-9-18-17/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H,18,20)