tert-butyl 4-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxyphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxyphenyl]piperazine-1-carboxylate Traditional Name: 4-[3-esyl-5-(4-fluorophenyl)-4-methoxy-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H31FN2O5S MolecularWeight: 478.576743

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C24H31FN2O5S/c1-6-33(29,30)21-16-19(15-20(22(21)31-5)17-7-9-18(25)10-8-17)26-11-13-27(14-12-26)23(28)32-24(2,3)4/h7-10,15-16H,6,11-14H2,1-5H3