4-(pyridin-2-ylmethylamino)benzenesulfonic acid

Systemtic Name: 4-(pyridin-2-ylmethylamino)benzenesulfonic acid Openeye Name: 4-(2-pyridylmethylamino)benzenesulfonic acid CAS Name: 4-(2-pyridinylmethylamino)benzenesulfonic acid IUPAC Name: 4-(pyridin-2-ylmethylamino)benzenesulfonic acid Traditional Name: 4-(2-pyridylmethylamino)besylic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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