4-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(3-phenylpropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-phenylpropyl)piperazino]sulfonylbenzonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N3O2S/c21-17-19-8-10-20(11-9-19)26(24,25)23-15-13-22(14-16-23)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-16H2