2-(benzotriazol-1-yl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C18H19N6O3S+ MolecularWeight: 399.44686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N6O3S/c25-18(12-24-16-8-2-1-7-15(16)21-23-24)20-13-5-3-6-14(11-13)28(26,27)22-17-9-4-10-19-17/h1-3,5-8,11H,4,9-10,12H2,(H,19,22)(H,20,25)/p+1