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

Systemtic Name: methyl (1S,5R)-3-(4-methylsulfonylphenyl)-8-pyrrolidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-(4-methylsulfonylphenyl)-8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-(4-methylsulfonylphenyl)-8-[oxo(1-pyrrolidinyl)methyl]-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-(4-methylsulfonylphenyl)-8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-(4-mesylphenyl)-8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2C(=O)N3CCCC3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N3CCCC3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-28-20(24)19-17(14-5-8-16(9-6-14)29(2,26)27)13-15-7-10-18(19)23(15)21(25)22-11-3-4-12-22/h5-6,8-9,15,18H,3-4,7,10-13H2,1-2H3/t15-,18+/m0/s1