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

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethyl-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethyl-benzamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethylbenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethylbenzamide Traditional Name: 3,5-dimethyl-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-13-10-14(2)12-15(11-13)19(23)21-16-5-7-17(8-6-16)26(24,25)22-18-4-3-9-20-18/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,22)(H,21,23)/p+1