[5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-bromanylbenzoate

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-bromanylbenzoate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (4-besyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C23H17BrN2O4S MolecularWeight: 497.36108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H17BrN2O4S/c1-16-21(31(28,29)20-13-6-3-7-14-20)22(26(25-16)19-11-4-2-5-12-19)30-23(27)17-9-8-10-18(24)15-17/h2-15H,1H3