4-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-(4-pentylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 4-[4-(4-amylphenyl)sulfonylpiperazino]benzonitrile Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N3O2S/c1-2-3-4-5-19-8-12-22(13-9-19)28(26,27)25-16-14-24(15-17-25)21-10-6-20(18-23)7-11-21/h6-13H,2-5,14-17H2,1H3