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

Systemtic Name: 4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine Openeye Name: 4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]piperazin-1-yl]pyrimidine CAS Name: 4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1-piperazinyl]pyrimidine IUPAC Name: 4-methoxy-2-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[1-(2-mesylbenzyl)-4-piperidyl]piperazino]-4-methoxy-pyrimidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O3S/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