4-(hexadecylamino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide

Systemtic Name: 4-(hexadecylamino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide Openeye Name: 4-(hexadecylamino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: 4-(hexadecylamino)-N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-(hexadecylamino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-(cetylamino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C33H49N5O8S MolecularWeight: 675.83586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

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