4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazino]sulfonylbenzenesulfonamide Formula: C19H21N3O4S3 MolecularWeight: 451.58274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H21N3O4S3/c20-28(23,24)16-5-7-17(8-6-16)29(25,26)22-11-9-21(10-12-22)13-15-14-27-19-4-2-1-3-18(15)19/h1-8,14H,9-13H2,(H2,20,23,24)