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

Systemtic Name: 4-[[C-methyl-N-(4-morpholin-4-ylsulfonylphenyl)carbonimidoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[C-methyl-N-(4-morpholinosulfonylphenyl)carbonimidoyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[1-[4-(4-morpholinylsulfonyl)phenyl]iminoethylamino]benzoic acid IUPAC Name: 2-hydroxy-4-[[C-methyl-N-(4-morpholin-4-ylsulfonylphenyl)carbonimidoyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[C-methyl-N-(4-morpholinosulfonylphenyl)carbonimidoyl]amino]benzoic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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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)