3-phenylsulfanyl-5-(3-pyridin-3-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 3-phenylsulfanyl-5-(3-pyridin-3-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-phenylsulfanyl-5-[3-(3-pyridyl)propoxy]-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(phenylthio)-5-[3-(3-pyridinyl)propoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-phenylsulfanyl-5-(3-pyridin-3-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-(phenylthio)-5-[3-(3-pyridyl)propoxy]-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(S1(=O)=O)C=CC(=C2)OCCCC3=CN=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(S1(=O)=O)C=CC(=C2)OCCCC3=CN=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H21NO3S2/c24-28(25)16-21(27-19-8-2-1-3-9-19)20-14-18(10-11-22(20)28)26-13-5-7-17-6-4-12-23-15-17/h1-4,6,8-12,14-15,21H,5,7,13,16H2