4-[2-(1-oxidanidylpyridin-1-ium-4-yl)ethoxy]-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 4-[2-(1-oxidanidylpyridin-1-ium-4-yl)ethoxy]-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-(benzenesulfonyl)-4-[2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(benzenesulfonyl)-4-[2-(1-oxido-4-pyridin-1-iumyl)ethoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-(benzenesulfonyl)-4-[2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-besyl-4-[2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)OCCC3=CC=[N+](C=C3)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)OCCC3=CC=[N+](C=C3)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO6S2/c23-22-12-9-16(10-13-22)11-14-28-18-7-4-8-19-21(18)20(15-29(19,24)25)30(26,27)17-5-2-1-3-6-17/h1-10,12-13,20H,11,14-15H2