4-morpholin-4-yl-3,5-dinitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-morpholin-4-yl-3,5-dinitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-morpholino-3,5-dinitro-N-[4-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-(4-morpholinyl)-3,5-dinitro-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-morpholin-4-yl-3,5-dinitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-morpholino-3,5-dinitro-N-(4-piperidinosulfonylphenyl)benzamide Formula: C22H25N5O8S MolecularWeight: 519.5276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O8S/c28-22(23-17-4-6-18(7-5-17)36(33,34)25-8-2-1-3-9-25)16-14-19(26(29)30)21(20(15-16)27(31)32)24-10-12-35-13-11-24/h4-7,14-15H,1-3,8-13H2,(H,23,28)