ethyl 3-(4-methoxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: ethyl 3-(4-methoxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 3-(4-methoxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 3-(4-methoxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(C2)N1S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1C2CCC(C2)N1S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H21NO5S/c1-3-22-16(18)15-11-4-5-12(10-11)17(15)23(19,20)14-8-6-13(21-2)7-9-14/h6-9,11-12,15H,3-5,10H2,1-2H3