6-[(3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

Systemtic Name: 6-[(3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline Openeye Name: 6-[(3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline CAS Name: 6-[(3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline IUPAC Name: 6-[(3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline Traditional Name: 6-[(3S)-5-(3,4-dimethoxyphenyl)-2-mesyl-2-pyrazolin-3-yl]quinoxaline Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C20H20N4O4S/c1-27-19-7-5-13(11-20(19)28-2)16-12-18(24(23-16)29(3,25)26)14-4-6-15-17(10-14)22-9-8-21-15/h4-11,18H,12H2,1-3H3/t18-/m0/s1