[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)acetate CAS Name: 2-[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)acetate Traditional Name: 2-(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3)C(C)C

InChI

InChI=1S/C21H32N2O5S/c1-15(2)18-8-6-16(3)12-19(18)28-21(25)14-22-13-17(7-9-20(22)24)29(26,27)23-10-4-5-11-23/h7,9,13,15-16,18-19H,4-6,8,10-12,14H2,1-3H3/t16-,18+,19-/m0/s1