N-butyl-4-methyl-N-[4-(4-nitrophenyl)buta-1,3-diynyl]benzenesulfonamide

Systemtic Name: N-butyl-4-methyl-N-[4-(4-nitrophenyl)buta-1,3-diynyl]benzenesulfonamide Openeye Name: N-butyl-4-methyl-N-[4-(4-nitrophenyl)buta-1,3-diynyl]benzenesulfonamide CAS Name: N-butyl-4-methyl-N-[4-(4-nitrophenyl)buta-1,3-diynyl]benzenesulfonamide IUPAC Name: N-butyl-4-methyl-N-[4-(4-nitrophenyl)buta-1,3-diynyl]benzenesulfonamide Traditional Name: N-butyl-4-methyl-N-[4-(4-nitrophenyl)buta-1,3-diynyl]benzenesulfonamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-3-4-16-22(28(26,27)21-14-8-18(2)9-15-21)17-6-5-7-19-10-12-20(13-11-19)23(24)25/h8-15H,3-4,16H2,1-2H3