ethyl 4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-5-29-21(26)17-6-8-18(9-7-17)30(27,28)25-12-10-24(11-13-25)19-14-16(4)22-20(23-19)15(2)3/h6-9,14-15H,5,10-13H2,1-4H3