4-hexadecylsulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-hexadecylsulfanyl-3-nitro-benzenesulfonamide Openeye Name: 4-hexadecylsulfanyl-3-nitro-benzenesulfonamide CAS Name: 4-(hexadecylthio)-3-nitrobenzenesulfonamide IUPAC Name: 4-hexadecylsulfanyl-3-nitrobenzenesulfonamide Traditional Name: 4-(cetylthio)-3-nitro-benzenesulfonamide Formula: C22H38N2O4S2 MolecularWeight: 458.67812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H38N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(23,27)28)19-21(22)24(25)26/h16-17,19H,2-15,18H2,1H3,(H2,23,27,28)