N-(5-hexadecoxy-4-methyl-2-oxidanyl-phenyl)-2-morpholin-4-yl-5-nitro-benzenesulfonamide

Systemtic Name: N-(5-hexadecoxy-4-methyl-2-oxidanyl-phenyl)-2-morpholin-4-yl-5-nitro-benzenesulfonamide Openeye Name: N-(5-hexadecoxy-2-hydroxy-4-methyl-phenyl)-2-morpholino-5-nitro-benzenesulfonamide CAS Name: N-(5-hexadecoxy-2-hydroxy-4-methylphenyl)-2-(4-morpholinyl)-5-nitrobenzenesulfonamide IUPAC Name: N-(5-hexadecoxy-2-hydroxy-4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzenesulfonamide Traditional Name: N-(5-cetyloxy-2-hydroxy-4-methyl-phenyl)-2-morpholino-5-nitro-benzenesulfonamide Formula: C33H51N3O7S MolecularWeight: 633.83894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C)O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C)O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C33H51N3O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-43-32-26-29(31(37)24-27(32)2)34-44(40,41)33-25-28(36(38)39)17-18-30(33)35-19-22-42-23-20-35/h17-18,24-26,34,37H,3-16,19-23H2,1-2H3