tert-butyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-sulfamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-sulfamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-chloro-6-fluoro-phenyl)methyl-methyl-sulfamoyl]piperazine-1-carboxylate CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperazine-1-carboxylate Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)-methyl-sulfamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25ClFN3O4S MolecularWeight: 421.914503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)N(C)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)N(C)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H25ClFN3O4S/c1-17(2,3)26-16(23)21-8-10-22(11-9-21)27(24,25)20(4)12-13-14(18)6-5-7-15(13)19/h5-7H,8-12H2,1-4H3