1-[2-[[5-(diethylsulfamoyl)-2-ethoxy-phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[5-(diethylsulfamoyl)-2-ethoxy-phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[5-(diethylsulfamoyl)-2-ethoxy-anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[5-(diethylsulfamoyl)-2-ethoxyanilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[5-(diethylsulfamoyl)-2-ethoxyanilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[5-(diethylsulfamoyl)-2-ethoxy-anilino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C22H34N2O6S/c1-4-24(5-2)31(28,29)17-11-12-19(30-6-3)18(15-17)23-20(25)16-22(21(26)27)13-9-7-8-10-14-22/h11-12,15H,4-10,13-14,16H2,1-3H3,(H,23,25)(H,26,27)