3-[(4-phenacylpiperazin-1-yl)sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-phenacylpiperazin-1-yl)sulfonylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-phenacylpiperazin-1-yl)sulfonylmethyl]benzonitrile CAS Name: 3-[(4-phenacyl-1-piperazinyl)sulfonylmethyl]benzonitrile IUPAC Name: 3-[(4-phenacylpiperazin-1-yl)sulfonylmethyl]benzonitrile Traditional Name: 3-[(4-phenacylpiperazino)sulfonylmethyl]benzonitrile Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC(=C3)C#N

InChI

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