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

Systemtic Name: methyl 2-[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate Openeye Name: methyl 2-[[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoate CAS Name: 2-[[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoate Traditional Name: 2-[4-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid methyl ester Formula: C26H33NO6S MolecularWeight: 487.60832

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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)OC)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)OC)C3=CC4=C(C=C3)OC(O4)(C)C

InChI

InChI=1S/C26H33NO6S/c1-17-15-19(7-9-21(17)20-8-10-22-23(16-20)33-26(4,5)32-22)18-11-13-27(14-12-18)34(29,30)25(2,3)24(28)31-6/h7-10,15-16,18H,11-14H2,1-6H3