4-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-fluorobenzothiophene-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H16FN3O3S2 MolecularWeight: 429.487743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=CC=C3S2)F)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=CC=C3S2)F)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H16FN3O3S2/c21-17-2-1-3-18-16(17)12-19(28-18)20(25)23-8-10-24(11-9-23)29(26,27)15-6-4-14(13-22)5-7-15/h1-7,12H,8-11H2