6-[(3S)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

Systemtic Name: 6-[(3S)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline Openeye Name: 6-[(3S)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline CAS Name: 6-[(3S)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline IUPAC Name: 6-[(3S)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline Traditional Name: 6-[(3S)-5-(1,3-benzodioxol-5-yl)-2-mesyl-2-pyrazolin-3-yl]quinoxaline Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

CS(=O)(=O)N1[C@@H](CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C19H16N4O4S/c1-28(24,25)23-17(13-2-4-14-16(8-13)21-7-6-20-14)10-15(22-23)12-3-5-18-19(9-12)27-11-26-18/h2-9,17H,10-11H2,1H3/t17-/m0/s1