5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoranyl-benzoic acid

Systemtic Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoranyl-benzoic acid Openeye Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-benzoic acid CAS Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzoic acid IUPAC Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzoic acid Traditional Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-benzoic acid Formula: C14H16FNO6S MolecularWeight: 345.343343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCC12OCCO2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C14H16FNO6S/c15-12-2-1-10(9-11(12)13(17)18)23(19,20)16-5-3-14(4-6-16)21-7-8-22-14/h1-2,9H,3-8H2,(H,17,18)