2-[4-(2-diethylaminoethyloxy)-3-ethanoyl-phenyl]-2-sulfamoyl-ethanesulfonic acid

Systemtic Name: 2-[4-(2-diethylaminoethyloxy)-3-ethanoyl-phenyl]-2-sulfamoyl-ethanesulfonic acid Openeye Name: 2-[3-acetyl-4-(2-diethylaminoethyloxy)phenyl]-2-sulfamoyl-ethanesulfonic acid CAS Name: 2-[3-acetyl-4-(2-diethylaminoethyloxy)phenyl]-2-sulfamoylethanesulfonic acid IUPAC Name: 2-[3-acetyl-4-(2-diethylaminoethyloxy)phenyl]-2-sulfamoylethanesulfonic acid Traditional Name: 2-[3-acetyl-4-(2-diethylaminoethyloxy)phenyl]-2-sulfamoyl-ethanesulfonic acid Formula: C16H26N2O7S2 MolecularWeight: 422.51684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)C(CS(=O)(=O)O)S(=O)(=O)N)C(=O)C

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)C(CS(=O)(=O)O)S(=O)(=O)N)C(=O)C

InChI

InChI=1S/C16H26N2O7S2/c1-4-18(5-2)8-9-25-15-7-6-13(10-14(15)12(3)19)16(27(17,23)24)11-26(20,21)22/h6-7,10,16H,4-5,8-9,11H2,1-3H3,(H2,17,23,24)(H,20,21,22)