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

Systemtic Name: 4-[4-(3-phenylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-phenylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-phenylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-(4-hydrocinnamoylpiperazino)sulfonylbenzonitrile Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c21-16-18-6-9-19(10-7-18)27(25,26)23-14-12-22(13-15-23)20(24)11-8-17-4-2-1-3-5-17/h1-7,9-10H,8,11-15H2