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

Systemtic Name: 2-chloranyl-3-[(3S)-5-(4-methylphenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-3-[(3S)-2-methylsulfonyl-5-(p-tolyl)-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-3-[(3S)-5-(4-methylphenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-3-[(3S)-5-(4-methylphenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[(3S)-2-mesyl-5-(p-tolyl)-3-pyrazolin-3-yl]quinoline Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)S(=O)(=O)C)C3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)S(=O)(=O)C)C3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-13-7-9-14(10-8-13)18-12-19(24(23-18)27(2,25)26)16-11-15-5-3-4-6-17(15)22-20(16)21/h3-12,19,23H,1-2H3/t19-/m0/s1