5-(3-phenylpropylsulfonylmethyl)-1-benzothiophene

Systemtic Name: 5-(3-phenylpropylsulfonylmethyl)-1-benzothiophene Openeye Name: 5-(3-phenylpropylsulfonylmethyl)benzothiophene CAS Name: 5-(3-phenylpropylsulfonylmethyl)-1-benzothiophene IUPAC Name: 5-(3-phenylpropylsulfonylmethyl)-1-benzothiophene Traditional Name: 5-(3-phenylpropylsulfonylmethyl)benzothiophene Formula: C18H18O2S2 MolecularWeight: 330.46432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCS(=O)(=O)CC2=CC3=C(C=C2)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCS(=O)(=O)CC2=CC3=C(C=C2)SC=C3

InChI

InChI=1S/C18H18O2S2/c19-22(20,12-4-7-15-5-2-1-3-6-15)14-16-8-9-18-17(13-16)10-11-21-18/h1-3,5-6,8-11,13H,4,7,12,14H2