ethyl 4-[[3-(1-ethylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(1-ethylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[(1-ethylsulfonyl-4-piperidyl)oxy]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(1-ethylsulfonyl-4-piperidinyl)oxy]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(1-ethylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(1-esyl-4-piperidyl)oxy]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C21H33N3O5S/c1-3-28-21(25)23-14-12-22(13-15-23)17-18-6-5-7-20(16-18)29-19-8-10-24(11-9-19)30(26,27)4-2/h5-7,16,19H,3-4,8-15,17H2,1-2H3