methyl (1S,5R)-3-(4-methylsulfonylphenyl)-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl (1S,5R)-3-(4-methylsulfonylphenyl)-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-(4-methylsulfonylphenyl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-(4-methylsulfonylphenyl)-8-[oxo(1-piperidinyl)methyl]-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-(4-methylsulfonylphenyl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-(4-mesylphenyl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2C(=O)N3CCCCC3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N3CCCCC3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-29-21(25)20-18(15-6-9-17(10-7-15)30(2,27)28)14-16-8-11-19(20)24(16)22(26)23-12-4-3-5-13-23/h6-7,9-10,16,19H,3-5,8,11-14H2,1-2H3/t16-,19+/m0/s1