N,N-diethyl-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzotriazole-5-sulfonamide

Systemtic Name: N,N-diethyl-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzotriazole-5-sulfonamide Openeye Name: N,N-diethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzotriazole-5-sulfonamide CAS Name: N,N-diethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]-5-benzotriazolesulfonamide IUPAC Name: N,N-diethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzotriazole-5-sulfonamide Traditional Name: N,N-diethyl-3-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethoxy]benzotriazole-5-sulfonamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O4S/c1-3-25(4-2)32(29,30)17-10-11-19-20(14-17)27(24-22-19)31-15-21(28)26-13-12-18(23-26)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3