2-(2-diethylaminoethyloxy)-2-(3,5-dimethylphenyl)-2-sulfamoyl-ethanesulfonic acid

Systemtic Name: 2-(2-diethylaminoethyloxy)-2-(3,5-dimethylphenyl)-2-sulfamoyl-ethanesulfonic acid Openeye Name: 2-(2-diethylaminoethyloxy)-2-(3,5-dimethylphenyl)-2-sulfamoyl-ethanesulfonic acid CAS Name: 2-(2-diethylaminoethyloxy)-2-(3,5-dimethylphenyl)-2-sulfamoylethanesulfonic acid IUPAC Name: 2-(2-diethylaminoethyloxy)-2-(3,5-dimethylphenyl)-2-sulfamoylethanesulfonic acid Traditional Name: 2-(2-diethylaminoethyloxy)-2-(3,5-dimethylphenyl)-2-sulfamoyl-ethanesulfonic acid Formula: C16H28N2O6S2 MolecularWeight: 408.53332

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(CS(=O)(=O)O)(C1=CC(=CC(=C1)C)C)S(=O)(=O)N

Isomeric SMILES

CCN(CC)CCOC(CS(=O)(=O)O)(C1=CC(=CC(=C1)C)C)S(=O)(=O)N

InChI

InChI=1S/C16H28N2O6S2/c1-5-18(6-2)7-8-24-16(26(17,22)23,12-25(19,20)21)15-10-13(3)9-14(4)11-15/h9-11H,5-8,12H2,1-4H3,(H2,17,22,23)(H,19,20,21)