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

Systemtic Name: methyl 4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-14(2)19-21-15(3)13-18(22-19)23-9-11-24(12-10-23)29(26,27)17-7-5-16(6-8-17)20(25)28-4/h5-8,13-14H,9-12H2,1-4H3