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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-hydroxy-3-methyl-pipecolinic acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6S/c1-3-4-12-24-13-6-8-14(9-7-13)25(22,23)18-11-5-10-17(2,21)15(18)16(19)20/h6-9,15,21H,5,10-12H2,1-2H3,(H,19,20)