2-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-3H-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 2-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-3H-1,2-benzothiazole 1,1-dioxide Openeye Name: 2-[4-[4-(1-isoquinolyl)piperazin-1-yl]butyl]-3H-1,2-benzothiazole 1,1-dioxide CAS Name: 2-[4-[4-(1-isoquinolinyl)-1-piperazinyl]butyl]-3H-1,2-benzothiazole 1,1-dioxide IUPAC Name: 2-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-3H-1,2-benzothiazole 1,1-dioxide Traditional Name: 2-[4-[4-(1-isoquinolyl)piperazino]butyl]-3H-1,2-benzothiazole 1,1-dioxide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2CC3=CC=CC=C3S2(=O)=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCN2CC3=CC=CC=C3S2(=O)=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C24H28N4O2S/c29-31(30)23-10-4-2-8-21(23)19-28(31)14-6-5-13-26-15-17-27(18-16-26)24-22-9-3-1-7-20(22)11-12-25-24/h1-4,7-12H,5-6,13-19H2