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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-13-8-9-15(11-14(13)2)19(23)21-16-5-3-6-17(12-16)26(24,25)22-18-7-4-10-20-18/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,22)(H,21,23)/p+1