N-(3-chloranyl-4-ethanoyl-phenyl)-2-cyano-N-(2-isocyanophenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-(3-chloranyl-4-ethanoyl-phenyl)-2-cyano-N-(2-isocyanophenyl)sulfonyl-benzenesulfonamide Openeye Name: N-(4-acetyl-3-chloro-phenyl)-2-cyano-N-(2-isocyanophenyl)sulfonyl-benzenesulfonamide CAS Name: N-(4-acetyl-3-chlorophenyl)-2-cyano-N-(2-isocyanophenyl)sulfonylbenzenesulfonamide IUPAC Name: N-(4-acetyl-3-chlorophenyl)-2-cyano-N-(2-isocyanophenyl)sulfonylbenzenesulfonamide Traditional Name: N-(4-acetyl-3-chloro-phenyl)-2-cyano-N-(2-isocyanophenyl)sulfonyl-benzenesulfonamide Formula: C22H14ClN3O5S2 MolecularWeight: 499.94666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)N(S(=O)(=O)C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3[N+]#[C-])Cl

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)N(S(=O)(=O)C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3[N+]#[C-])Cl

InChI

InChI=1S/C22H14ClN3O5S2/c1-15(27)18-12-11-17(13-19(18)23)26(32(28,29)21-9-5-3-7-16(21)14-24)33(30,31)22-10-6-4-8-20(22)25-2/h3-13H,1H3