3-[[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[2-(3-methoxypropylamino)-2-oxo-ethyl]-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylsulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylsulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[2-keto-2-(3-methoxypropylamino)ethyl]-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)CC(=O)NCCCOC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)CC(=O)NCCCOC)C

InChI

InChI=1S/C16H24N2O6S/c1-11-8-13(16(20)21)9-14(12(11)2)25(22,23)18(3)10-15(19)17-6-5-7-24-4/h8-9H,5-7,10H2,1-4H3,(H,17,19)(H,20,21)