5-ethyl-2-[4-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]piperidin-1-yl]pyrimidine

Systemtic Name: 5-ethyl-2-[4-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]piperidin-1-yl]pyrimidine Openeye Name: 5-ethyl-2-[4-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-piperidyl]pyrimidine CAS Name: 5-ethyl-2-[4-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-piperidinyl]pyrimidine IUPAC Name: 5-ethyl-2-[4-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]piperidin-1-yl]pyrimidine Traditional Name: 5-ethyl-2-[4-[3-(4-mesylbenzyl)oxyphenyl]piperidino]pyrimidine Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H29N3O3S/c1-3-19-16-26-25(27-17-19)28-13-11-21(12-14-28)22-5-4-6-23(15-22)31-18-20-7-9-24(10-8-20)32(2,29)30/h4-10,15-17,21H,3,11-14,18H2,1-2H3