2-chloranyl-7-ethoxy-3-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-ethoxy-3-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-ethoxy-3-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-ethoxy-3-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-ethoxy-3-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-7-ethoxy-3-[2-mesyl-5-(4-methoxyphenyl)-2-pyrazolin-3-yl]quinoline Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=C(C=C4)OC)Cl

InChI

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