tert-butyl 2-(5-chloranylnaphthalen-2-yl)sulfonyl-2,5-diazabicyclo[2.2.1]heptane-5-carboxylate

Systemtic Name: tert-butyl 2-(5-chloranylnaphthalen-2-yl)sulfonyl-2,5-diazabicyclo[2.2.1]heptane-5-carboxylate Openeye Name: tert-butyl 2-[(5-chloro-2-naphthyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane-5-carboxylate CAS Name: 2-[(5-chloro-2-naphthalenyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-chloronaphthalen-2-yl)sulfonyl-2,5-diazabicyclo[2.2.1]heptane-5-carboxylate Traditional Name: 2-[(5-chloro-2-naphthyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane-5-carboxylic acid tert-butyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1CN2S(=O)(=O)C3=CC4=C(C=C3)C(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC1CN2S(=O)(=O)C3=CC4=C(C=C3)C(=CC=C4)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-20(2,3)27-19(24)22-11-15-10-14(22)12-23(15)28(25,26)16-7-8-17-13(9-16)5-4-6-18(17)21/h4-9,14-15H,10-12H2,1-3H3