2-chloranyl-8-methyl-3-[(3S)-5-(4-methylphenyl)-2-(phenylsulfonyl)-1,3-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-8-methyl-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-8-methyl-quinoline CAS Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-8-methylquinoline IUPAC Name: 3-[(3S)-2-(benzenesulfonyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-3-yl]-2-chloro-8-methylquinoline Traditional Name: 3-[(3S)-2-besyl-5-(p-tolyl)-3-pyrazolin-3-yl]-2-chloro-8-methyl-quinoline Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)S(=O)(=O)C3=CC=CC=C3)C4=C(N=C5C(=CC=CC5=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)S(=O)(=O)C3=CC=CC=C3)C4=C(N=C5C(=CC=CC5=C4)C)Cl

InChI

InChI=1S/C26H22ClN3O2S/c1-17-11-13-19(14-12-17)23-16-24(30(29-23)33(31,32)21-9-4-3-5-10-21)22-15-20-8-6-7-18(2)25(20)28-26(22)27/h3-16,24,29H,1-2H3/t24-/m0/s1