1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-pipecolinic acid Formula: C17H21NO7S MolecularWeight: 383.41614

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC2C(=O)O)O

Isomeric SMILES

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC2C(=O)O)O

InChI

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