2-[4-[4-(5-bromanylthiophen-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(5-bromanylthiophen-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(5-bromo-2-thienyl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[4-(5-bromo-2-thiophenyl)-1-oxobutyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(5-bromothiophen-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(5-bromo-2-thienyl)butanoyl]piperazino]sulfonylbenzonitrile Formula: C19H20BrN3O3S2 MolecularWeight: 482.4144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H20BrN3O3S2/c20-18-9-8-16(27-18)5-3-7-19(24)22-10-12-23(13-11-22)28(25,26)17-6-2-1-4-15(17)14-21/h1-2,4,6,8-9H,3,5,7,10-13H2