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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]piperidine-2-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)piperidine-2-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo-(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)piperidine-2-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)pipecolinic 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)C2CCN(C(C2)C(=O)O)C(=O)C3(COC(OC3)(C)C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)C(=O)C3(COC(OC3)(C)C)C

InChI

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