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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxidanylidenepiperidin-1-yl)benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxo-1-piperidyl)benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxo-1-piperidinyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide Traditional Name: 4-(2-ketopiperidino)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C22H25N4O4S+ MolecularWeight: 441.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C22H24N4O4S/c27-21-8-1-2-14-26(21)18-11-9-16(10-12-18)22(28)24-17-5-3-6-19(15-17)31(29,30)25-20-7-4-13-23-20/h3,5-6,9-12,15H,1-2,4,7-8,13-14H2,(H,23,25)(H,24,28)/p+1