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

Systemtic Name: 4-[[(4-fluorophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-fluorophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-fluorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-fluorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-fluorobenzyl)-(4-methoxyphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid Formula: C22H26FNO5S MolecularWeight: 435.508943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO5S/c1-29-20-10-12-21(13-11-20)30(27,28)24(15-17-4-8-19(23)9-5-17)14-16-2-6-18(7-3-16)22(25)26/h4-5,8-13,16,18H,2-3,6-7,14-15H2,1H3,(H,25,26)