tert-butyl N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-N-(trifluoromethylsulfonyl)carbamate

Systemtic Name: tert-butyl N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-N-(trifluoromethylsulfonyl)carbamate Openeye Name: tert-butyl N-[(E)-N'-benzyloxycarbonylcarbamimidoyl]-N-(trifluoromethylsulfonyl)carbamate CAS Name: N-[(E)-amino(phenylmethoxycarbonylimino)methyl]-N-(trifluoromethylsulfonyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-N-(trifluoromethylsulfonyl)carbamate Traditional Name: N-[(E)-N'-carbobenzoxyamidino]-N-triflyl-carbamic acid tert-butyl ester Formula: C15H18F3N3O6S MolecularWeight: 425.38013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(=NC(=O)OCC1=CC=CC=C1)N)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N(/C(=N/C(=O)OCC1=CC=CC=C1)/N)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H18F3N3O6S/c1-14(2,3)27-13(23)21(28(24,25)15(16,17)18)11(19)20-12(22)26-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,19,20,22)