3-methyl-3-oxidanyl-1-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 3-methyl-3-oxidanyl-1-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-pipecolinic acid Formula: C17H21NO7S MolecularWeight: 383.41614

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)O

Isomeric SMILES

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)O

InChI

InChI=1S/C17H21NO7S/c1-17(22)9-4-10-18(15(17)16(20)21)26(23,24)14-7-5-13(6-8-14)25-12-3-2-11-19/h5-8,15,19,22H,4,9-12H2,1H3,(H,20,21)