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

Systemtic Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(benzothiophen-3-ylmethyl)piperazino]sulfonylbenzonitrile Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S2/c21-13-16-4-3-5-18(12-16)27(24,25)23-10-8-22(9-11-23)14-17-15-26-20-7-2-1-6-19(17)20/h1-7,12,15H,8-11,14H2