ethyl 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: ethyl 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-[4-(2-pyrimidyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O4S/c1-2-25-16(22)14-4-6-15(7-5-14)26(23,24)21-12-10-20(11-13-21)17-18-8-3-9-19-17/h3-9H,2,10-13H2,1H3