2-[4-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(cyclohexylmethyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(cyclohexylmethyl)piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3CCCCC3)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3CCCCC3)OC(C)(C)C(=O)O

InChI

InChI=1S/C22H34N2O5S/c1-17-15-19(9-10-20(17)29-22(2,3)21(25)26)30(27,28)24-13-11-23(12-14-24)16-18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14,16H2,1-3H3,(H,25,26)