(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole

Systemtic Name: (3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole Openeye Name: (3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole CAS Name: (3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole IUPAC Name: (3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole Traditional Name: (5S)-3-(3,4-dimethoxyphenyl)-1-mesyl-5-p-phenetyl-3-pyrazoline Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C=C(NN2S(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C=C(NN2S(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H24N2O5S/c1-5-27-16-9-6-14(7-10-16)18-13-17(21-22(18)28(4,23)24)15-8-11-19(25-2)20(12-15)26-3/h6-13,18,21H,5H2,1-4H3/t18-/m0/s1