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

Systemtic Name: tert-butyl 1-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-fluoranyl-phenyl]sulfonylpiperazine-2-carboxylate Openeye Name: tert-butyl 1-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-fluoro-phenyl]sulfonylpiperazine-2-carboxylate CAS Name: 1-[3-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-2-fluorophenyl]sulfonyl-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-fluorophenyl]sulfonylpiperazine-2-carboxylate Traditional Name: 1-[2-fluoro-3-(veratrylcarbamoyl)phenyl]sulfonylpiperazine-2-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)C1CNCCN1S(=O)(=O)C2=CC=CC(=C2F)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1S(=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)18-15-27-11-12-29(18)37(32,33)21-8-6-7-17(22(21)26)23(30)28-14-16-9-10-19(34-4)20(13-16)35-5/h6-10,13,18,27H,11-12,14-15H2,1-5H3,(H,28,30)