4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(4-ethylphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(4-ethylphenyl)sulfonylpiperazino]-2-methyl-6-piperidino-pyrimidine Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C

InChI

InChI=1S/C22H31N5O2S/c1-3-19-7-9-20(10-8-19)30(28,29)27-15-13-26(14-16-27)22-17-21(23-18(2)24-22)25-11-5-4-6-12-25/h7-10,17H,3-6,11-16H2,1-2H3