2-chloranyl-7-methoxy-3-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-methoxy-3-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-methoxy-3-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-methoxy-3-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-methoxy-3-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[(3R)-2-mesyl-5-(3-methoxyphenyl)-2-pyrazolin-3-yl]-7-methoxy-quinoline Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC(=CC=C4)OC)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)[C@H]3CC(=NN3S(=O)(=O)C)C4=CC(=CC=C4)OC)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-28-15-6-4-5-13(9-15)19-12-20(25(24-19)30(3,26)27)17-10-14-7-8-16(29-2)11-18(14)23-21(17)22/h4-11,20H,12H2,1-3H3/t20-/m1/s1