ethyl 4-[4-[(4-fluorophenyl)methyl-methyl-carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(4-fluorophenyl)methyl-methyl-carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(4-fluorophenyl)methyl-methyl-carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[(4-fluorophenyl)methyl-methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(4-fluorobenzyl)-methyl-carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O5S/c1-3-31-23(28)19-6-10-21(11-7-19)32(29,30)26-14-12-18(13-15-26)22(27)25(2)16-17-4-8-20(24)9-5-17/h4-11,18H,3,12-16H2,1-2H3