2-[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: 2-[[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoic acid CAS Name: 2-[[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: 2-[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)C3=CC4=C(C=C3)OC(O4)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)C3=CC4=C(C=C3)OC(O4)(C)C

InChI

InChI=1S/C25H31NO6S/c1-16-14-18(17-10-12-26(13-11-17)33(29,30)24(2,3)23(27)28)6-8-20(16)19-7-9-21-22(15-19)32-25(4,5)31-21/h6-9,14-15,17H,10-13H2,1-5H3,(H,27,28)