6-[5-tert-butyl-2-(phenylsulfonyl)-3,4-dihydropyrazol-3-yl]quinoxaline

Systemtic Name: 6-[5-tert-butyl-2-(phenylsulfonyl)-3,4-dihydropyrazol-3-yl]quinoxaline Openeye Name: 6-[2-(benzenesulfonyl)-5-tert-butyl-3,4-dihydropyrazol-3-yl]quinoxaline CAS Name: 6-[2-(benzenesulfonyl)-5-tert-butyl-3,4-dihydropyrazol-3-yl]quinoxaline IUPAC Name: 6-[2-(benzenesulfonyl)-5-tert-butyl-3,4-dihydropyrazol-3-yl]quinoxaline Traditional Name: 6-(2-besyl-5-tert-butyl-2-pyrazolin-3-yl)quinoxaline Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(C1)C2=CC3=NC=CN=C3C=C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(C1)C2=CC3=NC=CN=C3C=C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-21(2,3)20-14-19(15-9-10-17-18(13-15)23-12-11-22-17)25(24-20)28(26,27)16-7-5-4-6-8-16/h4-13,19H,14H2,1-3H3