4-[1-(cyclopropylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-4-(3-methylsulfonylphenoxy)-1-phenyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-[1-(cyclopropylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-4-(3-methylsulfonylphenoxy)-1-phenyl-cyclohexane-1-carboxylic acid Openeye Name: 4-[1-(cyclopropylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-4-(3-methylsulfonylphenoxy)-1-phenyl-cyclohexanecarboxylic acid CAS Name: 4-[1-(cyclopropylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-4-(3-methylsulfonylphenoxy)-1-phenyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-[1-(cyclopropylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-4-(3-methylsulfonylphenoxy)-1-phenylcyclohexane-1-carboxylic acid Traditional Name: 4-[1-(cyclopropylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-4-(3-mesylphenoxy)-1-phenyl-cyclohexanecarboxylic acid Formula: C32H33N3O5S MolecularWeight: 571.68652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)OC2(CCC(CC2)(C3=CC=CC=C3)C(=O)O)C4=NN(C(=N4)C5=CC=CC=C5)CC6CC6

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)OC2(CCC(CC2)(C3=CC=CC=C3)C(=O)O)C4=NN(C(=N4)C5=CC=CC=C5)CC6CC6

InChI

InChI=1S/C32H33N3O5S/c1-41(38,39)27-14-8-13-26(21-27)40-32(19-17-31(18-20-32,30(36)37)25-11-6-3-7-12-25)29-33-28(24-9-4-2-5-10-24)35(34-29)22-23-15-16-23/h2-14,21,23H,15-20,22H2,1H3,(H,36,37)