4-[[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-fluorophenyl)methyl-(p-tolylsulfonyl)amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-fluorobenzyl)-tosyl-amino]methyl]cyclohexanecarboxylic acid Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO4S/c1-16-2-12-21(13-3-16)29(27,28)24(15-18-6-10-20(23)11-7-18)14-17-4-8-19(9-5-17)22(25)26/h2-3,6-7,10-13,17,19H,4-5,8-9,14-15H2,1H3,(H,25,26)