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

Systemtic Name: tert-butyl 4-[4-[(4-fluoranyl-3-methyl-phenyl)sulfonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(4-fluoro-3-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-fluoro-3-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=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)F

Isomeric SMILES

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

InChI

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