(2E)-2-(4-tert-butylphenyl)sulfonyl-3-(3-methylpiperazin-1-yl)penta-2,4-dienenitrile

Systemtic Name: (2E)-2-(4-tert-butylphenyl)sulfonyl-3-(3-methylpiperazin-1-yl)penta-2,4-dienenitrile Openeye Name: (2E)-2-(4-tert-butylphenyl)sulfonyl-3-(3-methylpiperazin-1-yl)penta-2,4-dienenitrile CAS Name: (2E)-2-(4-tert-butylphenyl)sulfonyl-3-(3-methyl-1-piperazinyl)penta-2,4-dienenitrile IUPAC Name: (2E)-2-(4-tert-butylphenyl)sulfonyl-3-(3-methylpiperazin-1-yl)penta-2,4-dienenitrile Traditional Name: (2E)-2-(4-tert-butylphenyl)sulfonyl-3-(3-methylpiperazino)penta-2,4-dienenitrile Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C=C

Isomeric SMILES

CC1CN(CCN1)/C(=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)/C=C

InChI

InChI=1S/C20H27N3O2S/c1-6-18(23-12-11-22-15(2)14-23)19(13-21)26(24,25)17-9-7-16(8-10-17)20(3,4)5/h6-10,15,22H,1,11-12,14H2,2-5H3/b19-18+