[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3)S(=O)(=O)N

InChI

InChI=1S/C22H25NO6S/c1-28-20-12-11-18(13-21(20)30(23,26)27)22(25)29-14-19(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6,14H2,1H3,(H2,23,26,27)