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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-butyl-N-(1,1-dioxothiolan-3-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-butyl-N-(1,1-dioxo-3-thiolanyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-butyl-N-(1,1-dioxothiolan-3-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-butyl-N-(1,1-diketothiolan-3-yl)-4-morpholino-3-nitro-benzamide Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-2-3-7-21(16-6-12-29(26,27)14-16)19(23)15-4-5-17(18(13-15)22(24)25)20-8-10-28-11-9-20/h4-5,13,16H,2-3,6-12,14H2,1H3