2-chloranyl-7-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-(p-tolylsulfonyl)-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-7-ethoxy-3-[(3S)-5-(4-methoxyphenyl)-2-tosyl-3-pyrazolin-3-yl]quinoline Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3C=C(NN3S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=C(C=C5)OC)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)[C@@H]3C=C(NN3S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=C(C=C5)OC)Cl

InChI

InChI=1S/C28H26ClN3O4S/c1-4-36-22-12-9-20-15-24(28(29)30-25(20)16-22)27-17-26(19-7-10-21(35-3)11-8-19)31-32(27)37(33,34)23-13-5-18(2)6-14-23/h5-17,27,31H,4H2,1-3H3/t27-/m0/s1