[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2,3-dimethoxy-5-morpholinosulfonyl-benzoate CAS Name: 2,3-dimethoxy-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,3-dimethoxy-5-morpholinosulfonyl-benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C27H33NO8S MolecularWeight: 531.61782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4)OC

InChI

InChI=1S/C27H33NO8S/c1-33-25-17-22(37(31,32)28-12-14-35-15-13-28)16-23(26(25)34-2)27(30)36-18-24(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-11,16-17,19H,3-7,12-15,18H2,1-2H3