2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(3-thienyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-3-(3-thiophenyl)propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(3-thienyl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H19N3O3S2/c19-13-16-3-1-2-4-17(16)26(23,24)21-10-8-20(9-11-21)18(22)6-5-15-7-12-25-14-15/h1-4,7,12,14H,5-6,8-11H2