tert-butyl 4-[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28FN3O5S MolecularWeight: 477.548923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C23H28FN3O5S/c1-16-8-9-19(15-20(16)24)33(30,31)25-18-7-5-6-17(14-18)21(28)26-10-12-27(13-11-26)22(29)32-23(2,3)4/h5-9,14-15,25H,10-13H2,1-4H3