2-[(E)-5-[4-(4-bromophenyl)piperazin-1-yl]sulfonylpent-4-enyl]pyrimidine

Systemtic Name: 2-[(E)-5-[4-(4-bromophenyl)piperazin-1-yl]sulfonylpent-4-enyl]pyrimidine Openeye Name: 2-[(E)-5-[4-(4-bromophenyl)piperazin-1-yl]sulfonylpent-4-enyl]pyrimidine CAS Name: 2-[(E)-5-[[4-(4-bromophenyl)-1-piperazinyl]sulfonyl]pent-4-enyl]pyrimidine IUPAC Name: 2-[(E)-5-[4-(4-bromophenyl)piperazin-1-yl]sulfonylpent-4-enyl]pyrimidine Traditional Name: 2-[(E)-5-[4-(4-bromophenyl)piperazino]sulfonylpent-4-enyl]pyrimidine Formula: C19H23BrN4O2S MolecularWeight: 451.38052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Br)S(=O)(=O)C=CCCCC3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Br)S(=O)(=O)/C=C/CCCC3=NC=CC=N3

InChI

InChI=1S/C19H23BrN4O2S/c20-17-6-8-18(9-7-17)23-12-14-24(15-13-23)27(25,26)16-3-1-2-5-19-21-10-4-11-22-19/h3-4,6-11,16H,1-2,5,12-15H2/b16-3+