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

Systemtic Name: 1-[2-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[5-(diethylsulfamoyl)-2-methoxy-anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[5-(diethylsulfamoyl)-2-methoxy-anilino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C21H32N2O6S MolecularWeight: 440.55358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6S/c1-4-23(5-2)30(27,28)16-10-11-18(29-3)17(14-16)22-19(24)15-21(20(25)26)12-8-6-7-9-13-21/h10-11,14H,4-9,12-13,15H2,1-3H3,(H,22,24)(H,25,26)