2-chloranyl-7-ethoxy-3-[(3S)-5-(4-methylphenyl)-2-(phenylsulfonyl)-1,3-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-ethoxy-3-[(3S)-5-(4-methylphenyl)-2-(phenylsulfonyl)-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 3-[(3S)-2-(benzenesulfonyl)-5-(p-tolyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-ethoxy-quinoline CAS Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-ethoxyquinoline IUPAC Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-ethoxyquinoline Traditional Name: 3-[(3S)-2-besyl-5-(p-tolyl)-3-pyrazolin-3-yl]-2-chloro-7-ethoxy-quinoline Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3C=C(NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O3S/c1-3-34-21-14-13-20-15-23(27(28)29-24(20)16-21)26-17-25(19-11-9-18(2)10-12-19)30-31(26)35(32,33)22-7-5-4-6-8-22/h4-17,26,30H,3H2,1-2H3/t26-/m0/s1