1,3-bis[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]urea

Systemtic Name: 1,3-bis[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]urea Openeye Name: 1,3-bis[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]urea CAS Name: 1,3-bis[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]urea IUPAC Name: 1,3-bis[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]urea Traditional Name: 1,3-bis[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]urea Formula: C21H26N6O5S2+2 MolecularWeight: 506.59834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H24N6O5S2/c28-21(24-15-5-1-7-17(13-15)33(29,30)26-19-9-3-11-22-19)25-16-6-2-8-18(14-16)34(31,32)27-20-10-4-12-23-20/h1-2,5-8,13-14H,3-4,9-12H2,(H,22,26)(H,23,27)(H2,24,25,28)/p+2