2-chloranyl-6-ethoxy-3-[(3S)-5-phenyl-2-(phenylsulfonyl)-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-6-ethoxy-3-[(3S)-5-phenyl-2-(phenylsulfonyl)-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 3-[(3S)-2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]-2-chloro-6-ethoxy-quinoline CAS Name: 3-[(3S)-2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]-2-chloro-6-ethoxyquinoline IUPAC Name: 3-[(3S)-2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]-2-chloro-6-ethoxyquinoline Traditional Name: 3-[(3S)-2-besyl-5-phenyl-2-pyrazolin-3-yl]-2-chloro-6-ethoxy-quinoline Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)[C@@H]3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22ClN3O3S/c1-2-33-20-13-14-23-19(15-20)16-22(26(27)28-23)25-17-24(18-9-5-3-6-10-18)29-30(25)34(31,32)21-11-7-4-8-12-21/h3-16,25H,2,17H2,1H3/t25-/m0/s1