N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]isoindoline-5-carboxamide Formula: C22H21N4O5S+ MolecularWeight: 453.49094

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C22H20N4O5S/c1-2-12-26-21(28)17-10-5-14(13-18(17)22(26)29)20(27)24-15-6-8-16(9-7-15)32(30,31)25-19-4-3-11-23-19/h2,5-10,13H,1,3-4,11-12H2,(H,23,25)(H,24,27)/p+1