4-nitro-N-(2-phenylethynyl)-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-nitro-N-(2-phenylethynyl)-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-nitro-N-(2-phenylethynyl)benzenesulfonamide CAS Name: 4-nitro-N-(2-phenylethynyl)-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-nitro-N-(2-phenylethynyl)benzenesulfonamide Traditional Name: N-benzyl-4-nitro-N-(2-phenylethynyl)benzenesulfonamide Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C#CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C#CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O4S/c24-23(25)20-11-13-21(14-12-20)28(26,27)22(17-19-9-5-2-6-10-19)16-15-18-7-3-1-4-8-18/h1-14H,17H2