4-chloranyl-N-[4-[(E)-2-cyanoethenyl]sulfonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-[(E)-2-cyanoethenyl]sulfonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-[(E)-2-cyanovinyl]sulfonylphenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-[(E)-2-cyanoethenyl]sulfonylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-[(E)-2-cyanoethenyl]sulfonylphenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-[(E)-2-cyanovinyl]sulfonylphenyl]-3-nitro-benzenesulfonamide Formula: C15H10ClN3O6S2 MolecularWeight: 427.8394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C=CC#N

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)/C=C/C#N

InChI

InChI=1S/C15H10ClN3O6S2/c16-14-7-6-13(10-15(14)19(20)21)27(24,25)18-11-2-4-12(5-3-11)26(22,23)9-1-8-17/h1-7,9-10,18H/b9-1+