2-chloranyl-6-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-6-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-6-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-6-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-6-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-6-ethoxy-3-[(3S)-2-mesyl-5-(4-methoxyphenyl)-3-pyrazolin-3-yl]quinoline Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S/c1-4-30-17-9-10-19-15(11-17)12-18(22(23)24-19)21-13-20(25-26(21)31(3,27)28)14-5-7-16(29-2)8-6-14/h5-13,21,25H,4H2,1-3H3/t21-/m0/s1