methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)piperidine-4-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo-(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)isonipecotic acid methyl ester Formula: C25H33NO8S MolecularWeight: 507.59642

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3(COC(OC3)(C)C)C)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3(COC(OC3)(C)C)C)C(=O)OC

InChI

InChI=1S/C25H33NO8S/c1-6-7-16-32-19-8-10-20(11-9-19)35(29,30)25(22(28)31-5)12-14-26(15-13-25)21(27)24(4)17-33-23(2,3)34-18-24/h8-11H,12-18H2,1-5H3