4-(oxan-4-ylmethylamino)benzenesulfonic acid

Systemtic Name: 4-(oxan-4-ylmethylamino)benzenesulfonic acid Openeye Name: 4-(tetrahydropyran-4-ylmethylamino)benzenesulfonic acid CAS Name: 4-(4-oxanylmethylamino)benzenesulfonic acid IUPAC Name: 4-(oxan-4-ylmethylamino)benzenesulfonic acid Traditional Name: 4-(tetrahydropyran-4-ylmethylamino)besylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1COCCC1CNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H17NO4S/c14-18(15,16)12-3-1-11(2-4-12)13-9-10-5-7-17-8-6-10/h1-4,10,13H,5-9H2,(H,14,15,16)