4-chloranyl-N-methyl-3-nitro-N-octadecyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-methyl-3-nitro-N-octadecyl-benzenesulfonamide Openeye Name: 4-chloro-N-methyl-3-nitro-N-octadecyl-benzenesulfonamide CAS Name: 4-chloro-N-methyl-3-nitro-N-octadecylbenzenesulfonamide IUPAC Name: 4-chloro-N-methyl-3-nitro-N-octadecylbenzenesulfonamide Traditional Name: 4-chloro-N-methyl-3-nitro-N-stearyl-benzenesulfonamide Formula: C25H43ClN2O4S MolecularWeight: 503.13792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H43ClN2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)33(31,32)23-19-20-24(26)25(22-23)28(29)30/h19-20,22H,3-18,21H2,1-2H3