2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-yl-pyrimidine

Systemtic Name: 2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-yl-pyrimidine Openeye Name: 2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(1-piperidyl)pyrimidine CAS Name: 2-[4-(5-tert-butyl-2-methoxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-6-(1-piperidinyl)pyrimidine IUPAC Name: 2-[4-(5-tert-butyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine Traditional Name: 2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazino]-4-methyl-6-piperidino-pyrimidine Formula: C25H37N5O3S MolecularWeight: 487.65798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(C)(C)C)OC)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(C)(C)C)OC)N4CCCCC4

InChI

InChI=1S/C25H37N5O3S/c1-19-17-23(28-11-7-6-8-12-28)27-24(26-19)29-13-15-30(16-14-29)34(31,32)22-18-20(25(2,3)4)9-10-21(22)33-5/h9-10,17-18H,6-8,11-16H2,1-5H3