1-[2-[[3-(diethylsulfamoyl)-4-ethoxy-phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[3-(diethylsulfamoyl)-4-ethoxy-phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[3-(diethylsulfamoyl)-4-ethoxy-anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[3-(diethylsulfamoyl)-4-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=C(C=CC(=C1)NC(=O)CC2(CCCCCC2)C(=O)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6S/c1-4-24(5-2)31(28,29)19-15-17(11-12-18(19)30-6-3)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)