4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]benzonitrile Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-21(2,3)18-6-10-20(11-7-18)27(25,26)24-14-12-23(13-15-24)19-8-4-17(16-22)5-9-19/h4-11H,12-15H2,1-3H3