4-[(4-phenylpiperazin-1-yl)sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-phenylpiperazin-1-yl)sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-phenylpiperazin-1-yl)sulfonylmethyl]benzonitrile CAS Name: 4-[(4-phenyl-1-piperazinyl)sulfonylmethyl]benzonitrile IUPAC Name: 4-[(4-phenylpiperazin-1-yl)sulfonylmethyl]benzonitrile Traditional Name: 4-[(4-phenylpiperazino)sulfonylmethyl]benzonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N3O2S/c19-14-16-6-8-17(9-7-16)15-24(22,23)21-12-10-20(11-13-21)18-4-2-1-3-5-18/h1-9H,10-13,15H2