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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-3-nitro-benzamide Openeye Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitro-benzamide CAS Name: N-butyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitrobenzamide Traditional Name: N-butyl-N-[(3S)-1,1-diketothiolan-3-yl]-3-nitro-benzamide Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5S/c1-2-3-8-16(14-7-9-23(21,22)11-14)15(18)12-5-4-6-13(10-12)17(19)20/h4-6,10,14H,2-3,7-9,11H2,1H3/t14-/m0/s1