N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethyl-6-quinoxalinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide Traditional Name: 2,3-dimethyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide Formula: C21H22N5O3S+ MolecularWeight: 424.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4)N=C1C

InChI

InChI=1S/C21H21N5O3S/c1-13-14(2)24-19-11-15(8-9-18(19)23-13)21(27)25-16-5-3-6-17(12-16)30(28,29)26-20-7-4-10-22-20/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,22,26)(H,25,27)/p+1