[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-[3-(2-pyrimidylamino)phenyl]methanone Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C25H29N5O3S/c1-25(2,3)20-8-10-22(11-9-20)34(32,33)30-16-14-29(15-17-30)23(31)19-6-4-7-21(18-19)28-24-26-12-5-13-27-24/h4-13,18H,14-17H2,1-3H3,(H,26,27,28)