methyl 2-[4-[2-chloranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[4-[2-chloranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine-5-carboxylate Openeye Name: methyl 2-[4-[2-chloro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-1-piperidyl]pyrimidine-5-carboxylate CAS Name: 2-[4-[2-chloro-4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-1-piperidinyl]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[2-chloro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine-5-carboxylate Traditional Name: 2-[4-[2-chloro-4-[(4-mesylpiperazino)methyl]phenoxy]piperidino]pyrimidine-5-carboxylic acid methyl ester Formula: C23H30ClN5O5S MolecularWeight: 524.0328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1)N2CCC(CC2)OC3=C(C=C(C=C3)CN4CCN(CC4)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=CN=C(N=C1)N2CCC(CC2)OC3=C(C=C(C=C3)CN4CCN(CC4)S(=O)(=O)C)Cl

InChI

InChI=1S/C23H30ClN5O5S/c1-33-22(30)18-14-25-23(26-15-18)28-7-5-19(6-8-28)34-21-4-3-17(13-20(21)24)16-27-9-11-29(12-10-27)35(2,31)32/h3-4,13-15,19H,5-12,16H2,1-2H3