5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-[(E)-styryl]sulfonylpiperazin-1-yl]pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-ethyl-2-methyl-6-[4-[(E)-styryl]sulfonylpiperazino]pyrimidine Formula: C26H29ClN4O2S MolecularWeight: 497.05206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H29ClN4O2S/c1-3-25-24(19-22-9-11-23(27)12-10-22)26(29-20(2)28-25)30-14-16-31(17-15-30)34(32,33)18-13-21-7-5-4-6-8-21/h4-13,18H,3,14-17,19H2,1-2H3/b18-13+