3-methyl-3-oxidanyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 3-methyl-3-oxidanyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-pipecolinic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)(C)O

Isomeric SMILES

CCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)(C)O

InChI

InChI=1S/C18H23NO6S/c1-3-4-5-13-25-14-7-9-15(10-8-14)26(23,24)19-12-6-11-18(2,22)16(19)17(20)21/h7-10,16,22H,3,6,11-13H2,1-2H3,(H,20,21)