4-[4-(3-azanylpropoxy)phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-(3-azanylpropoxy)phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-(3-aminopropoxy)phenyl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[4-(3-aminopropoxy)phenyl]sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-[4-(3-aminopropoxy)phenyl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-(3-aminopropoxy)phenyl]sulfonyltetrahydropyran-4-carboxylic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCN

Isomeric SMILES

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCN

InChI

InChI=1S/C15H21NO6S/c16-8-1-9-22-12-2-4-13(5-3-12)23(19,20)15(14(17)18)6-10-21-11-7-15/h2-5H,1,6-11,16H2,(H,17,18)