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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C18H19N3O3S/c1-13-4-6-14(7-5-13)18(22)20-15-8-10-16(11-9-15)25(23,24)21-17-3-2-12-19-17/h4-11H,2-3,12H2,1H3,(H,19,21)(H,20,22)/p+1