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

Systemtic Name: 2-[4-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[(4-cyclohexyl-1-piperazinyl)sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-(4-cyclohexylpiperazino)sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3CCCCC3)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3CCCCC3)OC(C)(C)C(=O)O

InChI

InChI=1S/C21H32N2O5S/c1-16-15-18(9-10-19(16)28-21(2,3)20(24)25)29(26,27)23-13-11-22(12-14-23)17-7-5-4-6-8-17/h9-10,15,17H,4-8,11-14H2,1-3H3,(H,24,25)