[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate Openeye Name: [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 2-hydroxy-5-morpholinosulfonyl-benzoate CAS Name: 2-hydroxy-5-(4-morpholinylsulfonyl)benzoic acid [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-morpholinosulfonyl-benzoic acid [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C23H33NO8S MolecularWeight: 483.57502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O)C(C)C

InChI

InChI=1S/C23H33NO8S/c1-15(2)18-6-4-16(3)12-21(18)32-22(26)14-31-23(27)19-13-17(5-7-20(19)25)33(28,29)24-8-10-30-11-9-24/h5,7,13,15-16,18,21,25H,4,6,8-12,14H2,1-3H3/t16-,18+,21-/m0/s1