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

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide Openeye Name: N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C17H16N4O8S MolecularWeight: 436.39594

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8S/c22-17(12-9-14(20(23)24)11-15(10-12)21(25)26)18-13-1-3-16(4-2-13)30(27,28)19-5-7-29-8-6-19/h1-4,9-11H,5-8H2,(H,18,22)