tert-butyl 4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H23F3N2O4S MolecularWeight: 408.43573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H23F3N2O4S/c1-16(2,3)26-15(23)21-8-5-9-22(11-10-21)27(24,25)14-7-4-6-13(12-14)17(18,19)20/h4,6-7,12H,5,8-11H2,1-3H3