[2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] naphthalene-2-carboxylate

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] naphthalene-2-carboxylate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C=C3)C(C)(C)C

InChI

InChI=1S/C25H24N2O4S/c1-17-22(32(29,30)21-12-6-5-7-13-21)23(27(26-17)25(2,3)4)31-24(28)20-15-14-18-10-8-9-11-19(18)16-20/h5-16H,1-4H3