[5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] adamantane-1-carboxylate

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-besyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H28N2O4S/c1-18-24(34(31,32)23-10-6-3-7-11-23)25(29(28-18)22-8-4-2-5-9-22)33-26(30)27-15-19-12-20(16-27)14-21(13-19)17-27/h2-11,19-21H,12-17H2,1H3