tert-butyl 4-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-2-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[2-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=CC(=C2F)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2F)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

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