tert-butyl 4-[(2-iodanyl-4-methylsulfonyl-phenyl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-iodanyl-4-methylsulfonyl-phenyl)carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-iodo-4-methylsulfonyl-phenyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[(2-iodo-4-methylsulfonylanilino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-iodo-4-methylsulfonylphenyl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(2-iodo-4-mesyl-phenyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H24IN3O5S MolecularWeight: 509.35903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C)I

InChI

InChI=1S/C17H24IN3O5S/c1-17(2,3)26-16(23)21-9-7-20(8-10-21)15(22)19-14-6-5-12(11-13(14)18)27(4,24)25/h5-6,11H,7-10H2,1-4H3,(H,19,22)