methyl 4-methyl-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-methyl-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-4-methyl-benzoate CAS Name: 4-methyl-3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]sulfonyl-4-methyl-benzoic acid methyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

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