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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-[3-(4-morpholinyl)propyl]-4-nitrobenzamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CCCN2CCOCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1N(CCCN2CCOCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c22-18(15-2-4-16(5-3-15)21(23)24)20(17-6-13-28(25,26)14-17)8-1-7-19-9-11-27-12-10-19/h2-5,17H,1,6-14H2