4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C23H33N5O3S/c1-2-3-17-31-20-7-9-21(10-8-20)32(29,30)28-15-13-27(14-16-28)23-18-22(24-19-25-23)26-11-5-4-6-12-26/h7-10,18-19H,2-6,11-17H2,1H3