N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-4-morpholino-3-nitro-benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-4-morpholino-3-nitro-benzamide Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c1-17(13-4-9-26(23,24)11-13)16(20)12-2-3-14(15(10-12)19(21)22)18-5-7-25-8-6-18/h2-3,10,13H,4-9,11H2,1H3