3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]propanenitrile CAS Name: 3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile Traditional Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]propionitrile Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CCC#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CCC#N)C)C(C)(C)C

InChI

InChI=1S/C19H29N3O2S/c1-15-13-17(19(3,4)5)14-16(2)18(15)25(23,24)22-11-9-21(10-12-22)8-6-7-20/h13-14H,6,8-12H2,1-5H3