4-[[C-methyl-N-(4-morpholin-4-ylsulfonylphenyl)carbonimidoyl]amino]-2-oxidanyl-benzoate

Systemtic Name: 4-[[C-methyl-N-(4-morpholin-4-ylsulfonylphenyl)carbonimidoyl]amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[[C-methyl-N-(4-morpholinosulfonylphenyl)carbonimidoyl]amino]benzoate CAS Name: 2-hydroxy-4-[1-[4-(4-morpholinylsulfonyl)phenyl]iminoethylamino]benzoate IUPAC Name: 2-hydroxy-4-[[C-methyl-N-(4-morpholin-4-ylsulfonylphenyl)carbonimidoyl]amino]benzoate Traditional Name: 2-hydroxy-4-[[C-methyl-N-(4-morpholinosulfonylphenyl)carbonimidoyl]amino]benzoate Formula: C19H20N3O6S- MolecularWeight: 418.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC3=CC(=C(C=C3)C(=O)[O-])O

Isomeric SMILES

CC(=NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC3=CC(=C(C=C3)C(=O)[O-])O

InChI

InChI=1S/C19H21N3O6S/c1-13(21-15-4-7-17(19(24)25)18(23)12-15)20-14-2-5-16(6-3-14)29(26,27)22-8-10-28-11-9-22/h2-7,12,23H,8-11H2,1H3,(H,20,21)(H,24,25)/p-1