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

Systemtic Name: 4-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide Openeye Name: 4-morpholino-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-morpholino-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C21H23N5O9S MolecularWeight: 521.50042

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O9S/c27-21(22-16-1-3-17(4-2-16)36(32,33)24-7-11-35-12-8-24)15-13-18(25(28)29)20(19(14-15)26(30)31)23-5-9-34-10-6-23/h1-4,13-14H,5-12H2,(H,22,27)