4-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[[4-(4-nitrophenoxy)-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-(4-nitrophenoxy)-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-(4-nitrophenoxy)piperidino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C17H22N2O8S MolecularWeight: 414.43018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3(CCOCC3)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3(CCOCC3)C(=O)O

InChI

InChI=1S/C17H22N2O8S/c20-16(21)17(7-11-26-12-8-17)28(24,25)18-9-5-15(6-10-18)27-14-3-1-13(2-4-14)19(22)23/h1-4,15H,5-12H2,(H,20,21)