N-butyl-N-[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]methanesulfonamide

Systemtic Name: N-butyl-N-[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]methanesulfonamide Openeye Name: N-butyl-N-(6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)methanesulfonamide CAS Name: N-butyl-N-(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)methanesulfonamide IUPAC Name: N-butyl-N-(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)methanesulfonamide Traditional Name: N-butyl-N-(1,1-diketo-6-nitro-2,3-dihydrobenzothiophen-3-yl)methanesulfonamide Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCCCN(C1CS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H18N2O6S2/c1-3-4-7-14(22(2,18)19)12-9-23(20,21)13-8-10(15(16)17)5-6-11(12)13/h5-6,8,12H,3-4,7,9H2,1-2H3