3-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N-[4-(2-sulfamoylphenyl)phenyl]propanamide

Systemtic Name: 3-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Openeye Name: 3-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]-N-[4-(2-sulfamoylphenyl)phenyl]propanamide CAS Name: 3-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]-N-[4-(2-sulfamoylphenyl)phenyl]propanamide IUPAC Name: 3-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Traditional Name: 3-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]-N-[4-(2-sulfamoylphenyl)phenyl]propionamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)CCC3=CC(=C(N)N)C=CC3=O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)CCC3=CC(=C(N)N)C=CC3=O)S(=O)(=O)N

InChI

InChI=1S/C22H22N4O4S/c23-22(24)16-7-11-19(27)15(13-16)8-12-21(28)26-17-9-5-14(6-10-17)18-3-1-2-4-20(18)31(25,29)30/h1-7,9-11,13H,8,12,23-24H2,(H,26,28)(H2,25,29,30)