2-[(E)-C-[(phenylmethyl)carbamoyl]-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-C-[(phenylmethyl)carbamoyl]-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonic acid Openeye Name: 2-[(E)-C-(benzylcarbamoyl)-N-(2-pyridylamino)carbonimidoyl]benzenesulfonic acid CAS Name: 2-[(1E)-2-oxo-2-[(phenylmethyl)amino]-1-(2-pyridinylhydrazinylidene)ethyl]benzenesulfonic acid IUPAC Name: 2-[(E)-C-(benzylcarbamoyl)-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonic acid Traditional Name: 2-[(E)-C-(benzylcarbamoyl)-N-(2-pyridylamino)carbonimidoyl]besylic acid Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=NNC2=CC=CC=N2)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=N/NC2=CC=CC=N2)/C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C20H18N4O4S/c25-20(22-14-15-8-2-1-3-9-15)19(24-23-18-12-6-7-13-21-18)16-10-4-5-11-17(16)29(26,27)28/h1-13H,14H2,(H,21,23)(H,22,25)(H,26,27,28)/b24-19+