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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylbenzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylbenzamide Traditional Name: 2-methyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C18H19N3O3S/c1-13-6-2-3-9-16(13)18(22)20-14-7-4-8-15(12-14)25(23,24)21-17-10-5-11-19-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)(H,20,22)/p+1