methyl (3R,4R)-2,5-diphenyl-4-(phenylsulfonyl)-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: methyl (3R,4R)-2,5-diphenyl-4-(phenylsulfonyl)-3,4-dihydropyrazole-3-carboxylate Openeye Name: methyl (3R,4R)-4-(benzenesulfonyl)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate CAS Name: (3R,4R)-4-(benzenesulfonyl)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-4-(benzenesulfonyl)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate Traditional Name: (3R,4R)-4-besyl-2,5-diphenyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1[C@H](C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O4S/c1-29-23(26)21-22(30(27,28)19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)24-25(21)18-13-7-3-8-14-18/h2-16,21-22H,1H3/t21-,22-/m0/s1