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

Systemtic Name: 1-[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-4-23(5-2)29(27,28)17-11-10-16(3)18(14-17)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)