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

Systemtic Name: N-butyl-4-nitro-N-(2-phenylethynyl)benzenesulfonamide Openeye Name: N-butyl-4-nitro-N-(2-phenylethynyl)benzenesulfonamide CAS Name: N-butyl-4-nitro-N-(2-phenylethynyl)benzenesulfonamide IUPAC Name: N-butyl-4-nitro-N-(2-phenylethynyl)benzenesulfonamide Traditional Name: N-butyl-4-nitro-N-(2-phenylethynyl)benzenesulfonamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-2-3-14-19(15-13-16-7-5-4-6-8-16)25(23,24)18-11-9-17(10-12-18)20(21)22/h4-12H,2-3,14H2,1H3