3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]propanenitrile CAS Name: 3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile Traditional Name: 3-[4-(4-sec-butylphenyl)sulfonylpiperazino]propionitrile Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-3-15(2)16-5-7-17(8-6-16)23(21,22)20-13-11-19(12-14-20)10-4-9-18/h5-8,15H,3-4,10-14H2,1-2H3