[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C25H28BrNO6S MolecularWeight: 550.46192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H28BrNO6S/c26-22-11-10-21(16-24(22)34(30,31)27-12-14-32-15-13-27)25(29)33-17-23(28)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h6-11,16,18H,1-5,12-15,17H2