2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-sulfamoylphenyl)benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-sulfamoylphenyl)benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-(3-sulfamoylphenyl)benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-(3-sulfamoylphenyl)benzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(3-sulfamoylphenyl)benzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-(3-sulfamoylphenyl)benzamide Formula: C22H18N4O4S2 MolecularWeight: 466.53272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H18N4O4S2/c23-13-15-5-3-6-16(11-15)25-21(27)14-31-20-10-2-1-9-19(20)22(28)26-17-7-4-8-18(12-17)32(24,29)30/h1-12H,14H2,(H,25,27)(H,26,28)(H2,24,29,30)