N-[[3-(1,2-dimethyl-3-oxidanylidene-5-quinoxalin-6-yl-pyrazol-4-yl)phenyl]methyl]methanesulfonamide

Systemtic Name: N-[[3-(1,2-dimethyl-3-oxidanylidene-5-quinoxalin-6-yl-pyrazol-4-yl)phenyl]methyl]methanesulfonamide Openeye Name: N-[[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-yl-pyrazol-4-yl)phenyl]methyl]methanesulfonamide CAS Name: N-[[3-[1,2-dimethyl-3-oxo-5-(6-quinoxalinyl)-4-pyrazolyl]phenyl]methyl]methanesulfonamide IUPAC Name: N-[[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methyl]methanesulfonamide Traditional Name: N-[3-(3-keto-1,2-dimethyl-5-quinoxalin-6-yl-3-pyrazolin-4-yl)benzyl]methanesulfonamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)C2=CC(=CC=C2)CNS(=O)(=O)C)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CN1C(=C(C(=O)N1C)C2=CC(=CC=C2)CNS(=O)(=O)C)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H21N5O3S/c1-25-20(16-7-8-17-18(12-16)23-10-9-22-17)19(21(27)26(25)2)15-6-4-5-14(11-15)13-24-30(3,28)29/h4-12,24H,13H2,1-3H3