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

Systemtic Name: 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-5-propyl-pyrimidine Openeye Name: 2-[4-[(1R)-1-methyl-3-(4-methylsulfonylphenoxy)propyl]-1-piperidyl]-5-propyl-pyrimidine CAS Name: 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]-1-piperidinyl]-5-propylpyrimidine IUPAC Name: 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-5-propylpyrimidine Traditional Name: 2-[4-[(1R)-3-(4-mesylphenoxy)-1-methyl-propyl]piperidino]-5-propyl-pyrimidine Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCC(CC2)C(C)CCOC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCC(CC2)[C@H](C)CCOC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H33N3O3S/c1-4-5-19-16-24-23(25-17-19)26-13-10-20(11-14-26)18(2)12-15-29-21-6-8-22(9-7-21)30(3,27)28/h6-9,16-18,20H,4-5,10-15H2,1-3H3/t18-/m1/s1