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

Systemtic Name: 3-phenylsulfanyl-4-(3-pyridin-3-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-phenylsulfanyl-4-[3-(3-pyridyl)propoxy]-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(phenylthio)-4-[3-(3-pyridinyl)propoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-phenylsulfanyl-4-(3-pyridin-3-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-(phenylthio)-4-[3-(3-pyridyl)propoxy]-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C22H21NO3S2 MolecularWeight: 411.53704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)OCCCC3=CN=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)OCCCC3=CN=CC=C3)SC4=CC=CC=C4

InChI

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