[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(4-ethyl-5-pyrimidinyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(4-ethylpyrimidin-5-yl)methanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=NC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=NC=NC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H28N4O3S/c1-5-19-18(14-22-15-23-19)20(26)24-10-12-25(13-11-24)29(27,28)17-8-6-16(7-9-17)21(2,3)4/h6-9,14-15H,5,10-13H2,1-4H3