7-[(1-oxidanidylpyridin-1-ium-3-yl)methoxy]-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 7-[(1-oxidanidylpyridin-1-ium-3-yl)methoxy]-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-(benzenesulfonyl)-7-[(1-oxidopyridin-1-ium-3-yl)methoxy]-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(benzenesulfonyl)-7-[(1-oxido-3-pyridin-1-iumyl)methoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-(benzenesulfonyl)-7-[(1-oxidopyridin-1-ium-3-yl)methoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-besyl-7-[(1-oxidopyridin-1-ium-3-yl)methoxy]-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C20H17NO6S2 MolecularWeight: 431.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(S1(=O)=O)C(=CC=C2)OCC3=C[N+](=CC=C3)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(S1(=O)=O)C(=CC=C2)OCC3=C[N+](=CC=C3)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17NO6S2/c22-21-11-5-6-15(12-21)13-27-18-10-4-9-17-19(14-28(23,24)20(17)18)29(25,26)16-7-2-1-3-8-16/h1-12,19H,13-14H2