4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine hydrochloride

Systemtic Name: 4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine hydrochloride Openeye Name: 4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]piperazin-1-yl]pyrimidine hydrochloride CAS Name: 4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1-piperazinyl]pyrimidine hydrochloride IUPAC Name: 4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine hydrochloride Traditional Name: 2-[4-[1-(2-mesylbenzyl)-4-piperidyl]piperazino]-4-methoxy-pyrimidine hydrochloride Formula: C22H32ClN5O3S MolecularWeight: 482.03918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4S(=O)(=O)C.Cl

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4S(=O)(=O)C.Cl

InChI

InChI=1S/C22H31N5O3S.ClH/c1-30-21-7-10-23-22(24-21)27-15-13-26(14-16-27)19-8-11-25(12-9-19)17-18-5-3-4-6-20(18)31(2,28)29;/h3-7,10,19H,8-9,11-17H2,1-2H3;1H