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

Systemtic Name: 2-chloranyl-3-[(3S)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-3-[(3S)-5-(p-tolyl)-2-(p-tolylsulfonyl)-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-3-[(3S)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-3-[(3S)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[(3S)-5-(p-tolyl)-2-tosyl-3-pyrazolin-3-yl]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=C(C=C3)C)C4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C26H22ClN3O2S/c1-17-7-11-19(12-8-17)24-16-25(22-15-20-5-3-4-6-23(20)28-26(22)27)30(29-24)33(31,32)21-13-9-18(2)10-14-21/h3-16,25,29H,1-2H3/t25-/m0/s1