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

Systemtic Name: 1-[2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C19H28N2O5S/c1-14-8-9-15(27(25,26)21(2)3)12-16(14)20-17(22)13-19(18(23)24)10-6-4-5-7-11-19/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,20,22)(H,23,24)