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

Systemtic Name: tert-butyl 4-[(2-iodanyl-4-methylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-iodo-4-methylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(2-iodo-4-methylsulfonylanilino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-iodo-4-methylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(2-iodo-4-mesyl-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25IN2O5S MolecularWeight: 508.37097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C)I

InChI

InChI=1S/C18H25IN2O5S/c1-18(2,3)26-17(23)21-9-7-12(8-10-21)16(22)20-15-6-5-13(11-14(15)19)27(4,24)25/h5-6,11-12H,7-10H2,1-4H3,(H,20,22)