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

Systemtic Name: 3-(phenylsulfonyl)-4-(3-pyrrol-1-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-(benzenesulfonyl)-4-(3-pyrrol-1-ylpropoxy)-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(benzenesulfonyl)-4-[3-(1-pyrrolyl)propoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-(benzenesulfonyl)-4-(3-pyrrol-1-ylpropoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-besyl-4-(3-pyrrol-1-ylpropoxy)-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)OCCCN3C=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)OCCCN3C=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO5S2/c23-28(24)16-20(29(25,26)17-8-2-1-3-9-17)21-18(10-6-11-19(21)28)27-15-7-14-22-12-4-5-13-22/h1-6,8-13,20H,7,14-16H2