3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[2-(diethylaminomethyl)benzyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

InChI

InChI=1S/C21H28N2O4S/c1-5-23(6-2)14-18-10-8-7-9-17(18)13-22-28(26,27)20-12-19(21(24)25)11-15(3)16(20)4/h7-12,22H,5-6,13-14H2,1-4H3,(H,24,25)