3-[4-(pyridin-2-ylamino)butoxy]benzenesulfonic acid

Systemtic Name: 3-[4-(pyridin-2-ylamino)butoxy]benzenesulfonic acid Openeye Name: 3-[4-(2-pyridylamino)butoxy]benzenesulfonic acid CAS Name: 3-[4-(2-pyridinylamino)butoxy]benzenesulfonic acid IUPAC Name: 3-[4-(pyridin-2-ylamino)butoxy]benzenesulfonic acid Traditional Name: 3-[4-(2-pyridylamino)butoxy]besylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCCOC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NCCCCOC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H18N2O4S/c18-22(19,20)14-7-5-6-13(12-14)21-11-4-3-10-17-15-8-1-2-9-16-15/h1-2,5-9,12H,3-4,10-11H2,(H,16,17)(H,18,19,20)