2-chloranyl-3-[(3S)-2-ethylsulfonyl-5-(4-methylphenyl)-1,3-dihydropyrazol-3-yl]-7-methoxy-quinoline

Systemtic Name: 2-chloranyl-3-[(3S)-2-ethylsulfonyl-5-(4-methylphenyl)-1,3-dihydropyrazol-3-yl]-7-methoxy-quinoline Openeye Name: 2-chloro-3-[(3S)-2-ethylsulfonyl-5-(p-tolyl)-1,3-dihydropyrazol-3-yl]-7-methoxy-quinoline CAS Name: 2-chloro-3-[(3S)-2-ethylsulfonyl-5-(4-methylphenyl)-1,3-dihydropyrazol-3-yl]-7-methoxyquinoline IUPAC Name: 2-chloro-3-[(3S)-2-ethylsulfonyl-5-(4-methylphenyl)-1,3-dihydropyrazol-3-yl]-7-methoxyquinoline Traditional Name: 2-chloro-3-[(3S)-2-esyl-5-(p-tolyl)-3-pyrazolin-3-yl]-7-methoxy-quinoline Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(C=C(N1)C2=CC=C(C=C2)C)C3=C(N=C4C=C(C=CC4=C3)OC)Cl

Isomeric SMILES

CCS(=O)(=O)N1[C@@H](C=C(N1)C2=CC=C(C=C2)C)C3=C(N=C4C=C(C=CC4=C3)OC)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-4-30(27,28)26-21(13-20(25-26)15-7-5-14(2)6-8-15)18-11-16-9-10-17(29-3)12-19(16)24-22(18)23/h5-13,21,25H,4H2,1-3H3/t21-/m0/s1