(2E,4E)-2-(4-tert-butylphenyl)sulfonyl-5-piperazin-1-yl-penta-2,4-dienenitrile

Systemtic Name: (2E,4E)-2-(4-tert-butylphenyl)sulfonyl-5-piperazin-1-yl-penta-2,4-dienenitrile Openeye Name: (2E,4E)-2-(4-tert-butylphenyl)sulfonyl-5-piperazin-1-yl-penta-2,4-dienenitrile CAS Name: (2E,4E)-2-(4-tert-butylphenyl)sulfonyl-5-(1-piperazinyl)penta-2,4-dienenitrile IUPAC Name: (2E,4E)-2-(4-tert-butylphenyl)sulfonyl-5-piperazin-1-ylpenta-2,4-dienenitrile Traditional Name: (2E,4E)-2-(4-tert-butylphenyl)sulfonyl-5-piperazino-penta-2,4-dienenitrile Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CC=CN2CCNCC2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C(=C/C=C/N2CCNCC2)/C#N

InChI

InChI=1S/C19H25N3O2S/c1-19(2,3)16-6-8-17(9-7-16)25(23,24)18(15-20)5-4-12-22-13-10-21-11-14-22/h4-9,12,21H,10-11,13-14H2,1-3H3/b12-4+,18-5+