2-chloranyl-3-[(3S)-5-(furan-2-yl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methoxy-quinoline

Systemtic Name: 2-chloranyl-3-[(3S)-5-(furan-2-yl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methoxy-quinoline Openeye Name: 2-chloro-3-[(3S)-5-(2-furyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methoxy-quinoline CAS Name: 2-chloro-3-[(3S)-5-(2-furanyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methoxyquinoline IUPAC Name: 2-chloro-3-[(3S)-5-(furan-2-yl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methoxyquinoline Traditional Name: 2-chloro-3-[(3S)-5-(2-furyl)-2-mesyl-3-pyrazolin-3-yl]-6-methoxy-quinoline Formula: C18H16ClN3O4S MolecularWeight: 405.85534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1)Cl)C3C=C(NN3S(=O)(=O)C)C4=CC=CO4

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1)Cl)[C@@H]3C=C(NN3S(=O)(=O)C)C4=CC=CO4

InChI

InChI=1S/C18H16ClN3O4S/c1-25-12-5-6-14-11(8-12)9-13(18(19)20-14)16-10-15(17-4-3-7-26-17)21-22(16)27(2,23)24/h3-10,16,21H,1-2H3/t16-/m0/s1