N-(2-cyanoethyl)-N-[4-[(3-nitrophenyl)iminomethyl]phenyl]benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-[4-[(3-nitrophenyl)iminomethyl]phenyl]benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-[4-[(3-nitrophenyl)iminomethyl]phenyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-[4-[(3-nitrophenyl)iminomethyl]phenyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-[4-[(3-nitrophenyl)iminomethyl]phenyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N-[4-[(3-nitrophenyl)iminomethyl]phenyl]benzenesulfonamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c23-14-5-15-25(31(29,30)22-8-2-1-3-9-22)20-12-10-18(11-13-20)17-24-19-6-4-7-21(16-19)26(27)28/h1-4,6-13,16-17H,5,15H2