methyl (1S,2S,3R,4R)-3-aminocarbonyl-5-(phenylsulfonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: methyl (1S,2S,3R,4R)-3-aminocarbonyl-5-(phenylsulfonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: methyl (1S,2S,3R,4R)-5-(benzenesulfonyl)-3-carbamoyl-bicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: (1S,2S,3R,4R)-5-(benzenesulfonyl)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3R,4R)-5-(benzenesulfonyl)-3-carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: (1S,2S,3R,4R)-5-besyl-3-carbamoyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CC(C1C(=O)N)C(=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1[C@@H]2C[C@H]([C@@H]1C(=O)N)C(=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17NO5S/c1-22-16(19)13-9-7-11(14(13)15(17)18)12(8-9)23(20,21)10-5-3-2-4-6-10/h2-6,8-9,11,13-14H,7H2,1H3,(H2,17,18)/t9-,11+,13+,14+/m1/s1