4-(pyridin-3-ylmethylamino)benzenesulfonic acid

Systemtic Name: 4-(pyridin-3-ylmethylamino)benzenesulfonic acid Openeye Name: 4-(3-pyridylmethylamino)benzenesulfonic acid CAS Name: 4-(3-pyridinylmethylamino)benzenesulfonic acid IUPAC Name: 4-(pyridin-3-ylmethylamino)benzenesulfonic acid Traditional Name: 4-(3-pyridylmethylamino)besylic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC2=CC=C(C=C2)S(=O)(=O)O

InChI

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