2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazino]benzonitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H25N3O3S/c1-2-3-16-27-19-8-10-20(11-9-19)28(25,26)24-14-12-23(13-15-24)21-7-5-4-6-18(21)17-22/h4-11H,2-3,12-16H2,1H3