N-(4-hexadecylsulfanylphenyl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(4-hexadecylsulfanylphenyl)-2-nitro-benzenesulfonamide Openeye Name: N-(4-hexadecylsulfanylphenyl)-2-nitro-benzenesulfonamide CAS Name: N-[4-(hexadecylthio)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(4-hexadecylsulfanylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-[4-(cetylthio)phenyl]-2-nitro-benzenesulfonamide Formula: C28H42N2O4S2 MolecularWeight: 534.77408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C28H42N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-35-26-22-20-25(21-23-26)29-36(33,34)28-19-16-15-18-27(28)30(31)32/h15-16,18-23,29H,2-14,17,24H2,1H3