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

Systemtic Name: 3-[(3S)-5-(4-bromophenyl)-2-(phenylsulfonyl)-1,3-dihydropyrazol-3-yl]-2-chloranyl-7-methyl-quinoline Openeye Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-bromophenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-methyl-quinoline CAS Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-bromophenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-methylquinoline IUPAC Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-bromophenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-7-methylquinoline Traditional Name: 3-[(3S)-2-besyl-5-(4-bromophenyl)-3-pyrazolin-3-yl]-2-chloro-7-methyl-quinoline Formula: C25H19BrClN3O2S MolecularWeight: 540.85926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3C=C(NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)Cl

Isomeric SMILES

CC1=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/C25H19BrClN3O2S/c1-16-7-8-18-14-21(25(27)28-22(18)13-16)24-15-23(17-9-11-19(26)12-10-17)29-30(24)33(31,32)20-5-3-2-4-6-20/h2-15,24,29H,1H3/t24-/m0/s1