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

Systemtic Name: 3-[(3S)-5-(4-bromophenyl)-2-(phenylsulfonyl)-1,3-dihydropyrazol-3-yl]-2-chloranyl-7-ethoxy-quinoline Openeye Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-bromophenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-ethoxy-quinoline CAS Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-bromophenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-ethoxyquinoline IUPAC Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-bromophenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-ethoxyquinoline Traditional Name: 3-[(3S)-2-besyl-5-(4-bromophenyl)-3-pyrazolin-3-yl]-2-chloro-7-ethoxy-quinoline Formula: C26H21BrClN3O3S MolecularWeight: 570.88524

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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)Br)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)Br)Cl

InChI

InChI=1S/C26H21BrClN3O3S/c1-2-34-20-13-10-18-14-22(26(28)29-23(18)15-20)25-16-24(17-8-11-19(27)12-9-17)30-31(25)35(32,33)21-6-4-3-5-7-21/h3-16,25,30H,2H2,1H3/t25-/m0/s1