4-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-(1-piperidyl)-6-[4-[(E)-2-(p-tolyl)vinyl]sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-piperidino-6-[4-[(E)-2-(p-tolyl)vinyl]sulfonylpiperazino]pyrimidine Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C22H29N5O2S/c1-19-5-7-20(8-6-19)9-16-30(28,29)27-14-12-26(13-15-27)22-17-21(23-18-24-22)25-10-3-2-4-11-25/h5-9,16-18H,2-4,10-15H2,1H3/b16-9+