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

Systemtic Name: 4-chloranyl-N-hexadecyl-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-hexadecyl-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-hexadecyl-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-hexadecyl-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-cetyl-4-chloro-N-methyl-3-nitro-benzenesulfonamide Formula: C23H39ClN2O4S MolecularWeight: 475.08476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39ClN2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(2)31(29,30)21-17-18-22(24)23(20-21)26(27)28/h17-18,20H,3-16,19H2,1-2H3