(E)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-methylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(o-tolyl)prop-2-enamide CAS Name: (E)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(o-tolyl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acrylamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-15-6-2-3-7-16(15)11-12-20(24)22-17-8-4-9-18(14-17)27(25,26)23-19-10-5-13-21-19/h2-4,6-9,11-12,14H,5,10,13H2,1H3,(H,21,23)(H,22,24)/p+1/b12-11+