(3R)-3-(4-bromophenyl)-5-tert-butyl-2-(phenylsulfonyl)-3,4-dihydropyrazole

Systemtic Name: (3R)-3-(4-bromophenyl)-5-tert-butyl-2-(phenylsulfonyl)-3,4-dihydropyrazole Openeye Name: (3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)-5-tert-butyl-3,4-dihydropyrazole CAS Name: (3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)-5-tert-butyl-3,4-dihydropyrazole IUPAC Name: (3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)-5-tert-butyl-3,4-dihydropyrazole Traditional Name: (5R)-1-besyl-5-(4-bromophenyl)-3-tert-butyl-2-pyrazoline Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(C1)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN([C@H](C1)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O2S/c1-19(2,3)18-13-17(14-9-11-15(20)12-10-14)22(21-18)25(23,24)16-7-5-4-6-8-16/h4-12,17H,13H2,1-3H3/t17-/m1/s1