2-[4-(1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(benzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-benzothiophen-3-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(benzothiophene-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N3O3S2/c21-13-15-5-1-4-8-19(15)28(25,26)23-11-9-22(10-12-23)20(24)17-14-27-18-7-3-2-6-16(17)18/h1-8,14H,9-12H2