2-chloranyl-6,7-dimethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-6,7-dimethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-6,7-dimethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-6,7-dimethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-6,7-dimethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[(3S)-2-mesyl-5-phenyl-3-pyrazolin-3-yl]-6,7-dimethoxy-quinoline Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1OC)Cl)C3C=C(NN3S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1OC)Cl)[C@@H]3C=C(NN3S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O4S/c1-28-19-10-14-9-15(21(22)23-16(14)12-20(19)29-2)18-11-17(13-7-5-4-6-8-13)24-25(18)30(3,26)27/h4-12,18,24H,1-3H3/t18-/m0/s1