N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzamide Formula: C22H19FN4O3S2 MolecularWeight: 470.539663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C22H19FN4O3S2/c23-18-4-6-19(7-5-18)26-9-11-27(12-10-26)32(29,30)20-3-1-2-16(14-20)21(28)25-22-17(15-24)8-13-31-22/h1-8,13-14H,9-12H2,(H,25,28)