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

Systemtic Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(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] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C23H33NO7S MolecularWeight: 467.57562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO7S/c1-16(2)20-9-4-17(3)14-21(20)31-22(25)15-30-23(26)18-5-7-19(8-6-18)32(27,28)24-10-12-29-13-11-24/h5-8,16-17,20-21H,4,9-15H2,1-3H3/t17-,20+,21-/m0/s1