methyl 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate

Systemtic Name: methyl 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate Openeye Name: methyl 2-[[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]oxy]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate CAS Name: 2-[[1-(5-ethyl-2-pyrimidinyl)-4-piperidinyl]oxy]-5-[(4-methylsulfonyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate Traditional Name: 2-[[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]oxy]-5-[(4-mesylpiperazino)methyl]benzoic acid methyl ester Formula: C25H35N5O5S MolecularWeight: 517.6409

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)OC3=C(C=C(C=C3)CN4CCN(CC4)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)OC3=C(C=C(C=C3)CN4CCN(CC4)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C25H35N5O5S/c1-4-19-16-26-25(27-17-19)29-9-7-21(8-10-29)35-23-6-5-20(15-22(23)24(31)34-2)18-28-11-13-30(14-12-28)36(3,32)33/h5-6,15-17,21H,4,7-14,18H2,1-3H3