N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 4-(2-ketopyrrolidino)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C21H23N4O4S+ MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H22N4O4S/c26-20-7-3-13-25(20)17-10-8-15(9-11-17)21(27)23-16-4-1-5-18(14-16)30(28,29)24-19-6-2-12-22-19/h1,4-5,8-11,14H,2-3,6-7,12-13H2,(H,22,24)(H,23,27)/p+1