5-ethyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 5-ethyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine Openeye Name: 5-ethyl-2-[4-[(1R)-1-methyl-3-(4-methylsulfonylphenoxy)propyl]-1-piperidyl]pyrimidine CAS Name: 5-ethyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]-1-piperidinyl]pyrimidine IUPAC Name: 5-ethyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine Traditional Name: 5-ethyl-2-[4-[(1R)-3-(4-mesylphenoxy)-1-methyl-propyl]piperidino]pyrimidine Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)C(C)CCOC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)[C@H](C)CCOC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H31N3O3S/c1-4-18-15-23-22(24-16-18)25-12-9-19(10-13-25)17(2)11-14-28-20-5-7-21(8-6-20)29(3,26)27/h5-8,15-17,19H,4,9-14H2,1-3H3/t17-/m1/s1