(2S)-2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pentanedinitrile

Systemtic Name: (2S)-2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pentanedinitrile Openeye Name: (2S)-2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pentanedinitrile CAS Name: (2S)-2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: (2S)-2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pentanedinitrile Traditional Name: (2S)-2-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]glutaronitrile Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@H](CCC#N)C#N

InChI

InChI=1S/C20H28N4O2S/c1-20(2,3)18-6-8-19(9-7-18)27(25,26)24-13-11-23(12-14-24)16-17(15-22)5-4-10-21/h6-9,17H,4-5,11-14,16H2,1-3H3/t17-/m1/s1