ethyl 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(6-piperidinopyrimidin-4-yl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H29N5O4S MolecularWeight: 459.56176

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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)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C22H29N5O4S/c1-2-31-22(28)18-6-8-19(9-7-18)32(29,30)27-14-12-26(13-15-27)21-16-20(23-17-24-21)25-10-4-3-5-11-25/h6-9,16-17H,2-5,10-15H2,1H3