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

Systemtic Name: (3S)-5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole Openeye Name: (3S)-5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole CAS Name: (3S)-5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole IUPAC Name: (3S)-5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole Traditional Name: (5S)-3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-1-mesyl-3-pyrazoline Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C=C(NN2S(=O)(=O)C)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@@H]2C=C(NN2S(=O)(=O)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN2O4S/c1-24-17-6-4-5-14(18(17)25-2)16-11-15(20-21(16)26(3,22)23)12-7-9-13(19)10-8-12/h4-11,16,20H,1-3H3/t16-/m0/s1