N-[4-(hexadecylsulfamoyl)phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide

Systemtic Name: N-[4-(hexadecylsulfamoyl)phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide Openeye Name: N-[4-(hexadecylsulfamoyl)phenyl]-4-morpholino-3,5-dinitro-benzamide CAS Name: N-[4-(hexadecylsulfamoyl)phenyl]-4-(4-morpholinyl)-3,5-dinitrobenzamide IUPAC Name: N-[4-(hexadecylsulfamoyl)phenyl]-4-morpholin-4-yl-3,5-dinitrobenzamide Traditional Name: N-[4-(cetylsulfamoyl)phenyl]-4-morpholino-3,5-dinitro-benzamide Formula: C33H49N5O8S MolecularWeight: 675.83586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C33H49N5O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-34-47(44,45)29-18-16-28(17-19-29)35-33(39)27-25-30(37(40)41)32(31(26-27)38(42)43)36-21-23-46-24-22-36/h16-19,25-26,34H,2-15,20-24H2,1H3,(H,35,39)