N-hexadecyl-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: N-hexadecyl-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-hexadecyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: N-hexadecyl-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-hexadecyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: N-cetyl-3-nitro-N-phenyl-benzenesulfonamide Formula: C28H42N2O4S MolecularWeight: 502.70908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H42N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-29(26-20-16-15-17-21-26)35(33,34)28-23-19-22-27(25-28)30(31)32/h15-17,19-23,25H,2-14,18,24H2,1H3