(3S)-5-(3,4-dimethoxyphenyl)-3-phenyl-2-(phenylsulfonyl)-1,3-dihydropyrazole

Systemtic Name: (3S)-5-(3,4-dimethoxyphenyl)-3-phenyl-2-(phenylsulfonyl)-1,3-dihydropyrazole Openeye Name: (3S)-2-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-phenyl-1,3-dihydropyrazole CAS Name: (3S)-2-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-phenyl-1,3-dihydropyrazole IUPAC Name: (3S)-2-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-phenyl-1,3-dihydropyrazole Traditional Name: (5S)-1-besyl-3-(3,4-dimethoxyphenyl)-5-phenyl-3-pyrazoline Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(N(N2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C[C@H](N(N2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H22N2O4S/c1-28-22-14-13-18(15-23(22)29-2)20-16-21(17-9-5-3-6-10-17)25(24-20)30(26,27)19-11-7-4-8-12-19/h3-16,21,24H,1-2H3/t21-/m0/s1