4-[(6-azanyl-3-cyano-4-methyl-pyridin-2-yl)-ethyl-amino]benzenesulfonic acid

Systemtic Name: 4-[(6-azanyl-3-cyano-4-methyl-pyridin-2-yl)-ethyl-amino]benzenesulfonic acid Openeye Name: 4-[(6-amino-3-cyano-4-methyl-2-pyridyl)-ethyl-amino]benzenesulfonic acid CAS Name: 4-[(6-amino-3-cyano-4-methyl-2-pyridinyl)-ethylamino]benzenesulfonic acid IUPAC Name: 4-[(6-amino-3-cyano-4-methylpyridin-2-yl)-ethylamino]benzenesulfonic acid Traditional Name: 4-[(6-amino-3-cyano-4-methyl-2-pyridyl)-ethyl-amino]besylic acid Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)S(=O)(=O)O)C2=C(C(=CC(=N2)N)C)C#N

Isomeric SMILES

CCN(C1=CC=C(C=C1)S(=O)(=O)O)C2=C(C(=CC(=N2)N)C)C#N

InChI

InChI=1S/C15H16N4O3S/c1-3-19(11-4-6-12(7-5-11)23(20,21)22)15-13(9-16)10(2)8-14(17)18-15/h4-8H,3H2,1-2H3,(H2,17,18)(H,20,21,22)