tert-butyl 4-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-(veratrylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C25H32FN3O7S MolecularWeight: 537.600883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H32FN3O7S/c1-25(2,3)36-24(31)28-10-12-29(13-11-28)37(32,33)18-7-8-20(26)19(15-18)23(30)27-16-17-6-9-21(34-4)22(14-17)35-5/h6-9,14-15H,10-13,16H2,1-5H3,(H,27,30)