2-[4-(3-ethoxyphenyl)piperidin-1-yl]sulfonyl-2-methyl-butanoic acid

Systemtic Name: 2-[4-(3-ethoxyphenyl)piperidin-1-yl]sulfonyl-2-methyl-butanoic acid Openeye Name: 2-[[4-(3-ethoxyphenyl)-1-piperidyl]sulfonyl]-2-methyl-butanoic acid CAS Name: 2-[[4-(3-ethoxyphenyl)-1-piperidinyl]sulfonyl]-2-methylbutanoic acid IUPAC Name: 2-[4-(3-ethoxyphenyl)piperidin-1-yl]sulfonyl-2-methylbutanoic acid Traditional Name: 2-methyl-2-(4-m-phenetylpiperidino)sulfonyl-butyric acid Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)S(=O)(=O)N1CCC(CC1)C2=CC(=CC=C2)OCC

Isomeric SMILES

CCC(C)(C(=O)O)S(=O)(=O)N1CCC(CC1)C2=CC(=CC=C2)OCC

InChI

InChI=1S/C18H27NO5S/c1-4-18(3,17(20)21)25(22,23)19-11-9-14(10-12-19)15-7-6-8-16(13-15)24-5-2/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,20,21)