4-(pyridin-4-ylmethylamino)benzenesulfonic acid

Systemtic Name: 4-(pyridin-4-ylmethylamino)benzenesulfonic acid Openeye Name: 4-(4-pyridylmethylamino)benzenesulfonic acid CAS Name: 4-(pyridin-4-ylmethylamino)benzenesulfonic acid IUPAC Name: 4-(pyridin-4-ylmethylamino)benzenesulfonic acid Traditional Name: 4-(4-pyridylmethylamino)besylic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=CC=NC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCC2=CC=NC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O3S/c15-18(16,17)12-3-1-11(2-4-12)14-9-10-5-7-13-8-6-10/h1-8,14H,9H2,(H,15,16,17)