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

Systemtic Name: 2-chloranyl-6-ethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-6-ethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-6-ethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-6-ethoxy-3-[(3S)-2-methylsulfonyl-5-phenyl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-6-ethoxy-3-[(3S)-2-mesyl-5-phenyl-3-pyrazolin-3-yl]quinoline Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3C=C(NN3S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3S/c1-3-28-16-9-10-18-15(11-16)12-17(21(22)23-18)20-13-19(14-7-5-4-6-8-14)24-25(20)29(2,26)27/h4-13,20,24H,3H2,1-2H3/t20-/m0/s1