(2E)-2-(4-tert-butylphenyl)sulfonylpenta-2,4-dienenitrile; 2-methylpiperazine

Systemtic Name: (2E)-2-(4-tert-butylphenyl)sulfonylpenta-2,4-dienenitrile; 2-methylpiperazine Openeye Name: (2E)-2-(4-tert-butylphenyl)sulfonylpenta-2,4-dienenitrile; 2-methylpiperazine CAS Name: (2E)-2-(4-tert-butylphenyl)sulfonylpenta-2,4-dienenitrile; 2-methylpiperazine IUPAC Name: (2E)-2-(4-tert-butylphenyl)sulfonylpenta-2,4-dienenitrile; 2-methylpiperazine Traditional Name: (2E)-2-(4-tert-butylphenyl)sulfonylpenta-2,4-dienenitrile; 2-methylpiperazine Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CC=C)C#N

Isomeric SMILES

CC1CNCCN1.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C(=C/C=C)/C#N

InChI

InChI=1S/C15H17NO2S.C5H12N2/c1-5-6-14(11-16)19(17,18)13-9-7-12(8-10-13)15(2,3)4;1-5-4-6-2-3-7-5/h5-10H,1H2,2-4H3;5-7H,2-4H2,1H3/b14-6+;