3-(phenylsulfonyl)-4-(3-pyridin-4-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 3-(phenylsulfonyl)-4-(3-pyridin-4-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-(benzenesulfonyl)-4-[3-(4-pyridyl)propoxy]-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(benzenesulfonyl)-4-(3-pyridin-4-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-(benzenesulfonyl)-4-(3-pyridin-4-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-besyl-4-[3-(4-pyridyl)propoxy]-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)OCCCC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)OCCCC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO5S2/c24-29(25)16-21(30(26,27)18-7-2-1-3-8-18)22-19(9-4-10-20(22)29)28-15-5-6-17-11-13-23-14-12-17/h1-4,7-14,21H,5-6,15-16H2