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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo-(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)isonipecotic acid Formula: C24H31NO8S MolecularWeight: 493.56984

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO8S/c1-5-6-15-31-18-7-9-19(10-8-18)34(29,30)24(21(27)28)11-13-25(14-12-24)20(26)23(4)16-32-22(2,3)33-17-23/h7-10H,11-17H2,1-4H3,(H,27,28)