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

Systemtic Name: 3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(3-thienylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(3-thiophenylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(3-thenyl)piperazino]sulfonylbenzonitrile Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H17N3O2S2/c17-11-14-2-1-3-16(10-14)23(20,21)19-7-5-18(6-8-19)12-15-4-9-22-13-15/h1-4,9-10,13H,5-8,12H2