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

Systemtic Name: 3-(phenylsulfonyl)-4-(3-pyridin-3-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-(benzenesulfonyl)-4-[3-(3-pyridyl)propoxy]-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(benzenesulfonyl)-4-[3-(3-pyridinyl)propoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-(benzenesulfonyl)-4-(3-pyridin-3-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-besyl-4-[3-(3-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=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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