[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] ester IUPAC Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl] ester Formula: C23H32BrNO7S MolecularWeight: 546.47168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32BrNO7S/c1-15(2)18-6-4-16(3)12-20(18)32-22(26)14-31-23(27)17-5-7-19(24)21(13-17)33(28,29)25-8-10-30-11-9-25/h5,7,13,15-16,18,20H,4,6,8-12,14H2,1-3H3