2-[[4-nitro-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]oxy]ethanamine

Systemtic Name: 2-[[4-nitro-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]oxy]ethanamine Openeye Name: 2-[[3-(benzenesulfonyl)-4-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-5-yl]oxy]ethanamine CAS Name: 2-[[3-(benzenesulfonyl)-4-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]oxy]ethanamine IUPAC Name: 2-[[3-(benzenesulfonyl)-4-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]oxy]ethanamine Traditional Name: 2-[(3-besyl-1,1-diketo-4-nitro-2,3-dihydrobenzothiophen-5-yl)oxy]ethylamine Formula: C16H16N2O7S2 MolecularWeight: 412.43744

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(S1(=O)=O)C=CC(=C2[N+](=O)[O-])OCCN)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(C2=C(S1(=O)=O)C=CC(=C2[N+](=O)[O-])OCCN)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N2O7S2/c17-8-9-25-12-6-7-13-15(16(12)18(19)20)14(10-26(13,21)22)27(23,24)11-4-2-1-3-5-11/h1-7,14H,8-10,17H2