2-chloranyl-6-ethoxy-3-[(3R)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-6-ethoxy-3-[(3R)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-6-ethoxy-3-[(3R)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-6-ethoxy-3-[(3R)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-6-ethoxy-3-[(3R)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-6-ethoxy-3-[(3R)-2-mesyl-5-(2-methoxyphenyl)-2-pyrazolin-3-yl]quinoline Formula: C22H22ClN3O4S MolecularWeight: 459.94578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=CC=C4OC

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)[C@H]3CC(=NN3S(=O)(=O)C)C4=CC=CC=C4OC

InChI

InChI=1S/C22H22ClN3O4S/c1-4-30-15-9-10-18-14(11-15)12-17(22(23)24-18)20-13-19(25-26(20)31(3,27)28)16-7-5-6-8-21(16)29-2/h5-12,20H,4,13H2,1-3H3/t20-/m1/s1