4-nitro-N-(1-phenylnon-2-ynyl)benzenesulfonamide

Systemtic Name: 4-nitro-N-(1-phenylnon-2-ynyl)benzenesulfonamide Openeye Name: 4-nitro-N-(1-phenylnon-2-ynyl)benzenesulfonamide CAS Name: 4-nitro-N-(1-phenylnon-2-ynyl)benzenesulfonamide IUPAC Name: 4-nitro-N-(1-phenylnon-2-ynyl)benzenesulfonamide Traditional Name: 4-nitro-N-(1-phenylnon-2-ynyl)benzenesulfonamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC#CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-2-3-4-5-6-10-13-21(18-11-8-7-9-12-18)22-28(26,27)20-16-14-19(15-17-20)23(24)25/h7-9,11-12,14-17,21-22H,2-6H2,1H3