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

Systemtic Name: 3-[(3R)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloranyl-7-methoxy-quinoline Openeye Name: 3-[(3R)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-7-methoxy-quinoline CAS Name: 3-[(3R)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-7-methoxyquinoline IUPAC Name: 3-[(3R)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-7-methoxyquinoline Traditional Name: 3-[(3R)-5-(4-bromophenyl)-2-mesyl-2-pyrazolin-3-yl]-2-chloro-7-methoxy-quinoline Formula: C20H17BrClN3O3S MolecularWeight: 494.78928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrClN3O3S/c1-28-15-8-5-13-9-16(20(22)23-17(13)10-15)19-11-18(24-25(19)29(2,26)27)12-3-6-14(21)7-4-12/h3-10,19H,11H2,1-2H3/t19-/m1/s1