3-(2-ethoxyethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid dihydrochloride

Systemtic Name: 3-(2-ethoxyethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid dihydrochloride Openeye Name: 3-(2-ethoxyethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid dihydrochloride CAS Name: 3-(2-ethoxyethylsulfamoyl)-4-(4-methyl-1-piperazinyl)benzoic acid dihydrochloride IUPAC Name: 3-(2-ethoxyethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid dihydrochloride Traditional Name: 3-(2-ethoxyethylsulfamoyl)-4-(4-methylpiperazino)benzoic acid dihydrochloride Formula: C16H27Cl2N3O5S MolecularWeight: 444.37368

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C.Cl.Cl

Isomeric SMILES

CCOCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C.Cl.Cl

InChI

InChI=1S/C16H25N3O5S.2ClH/c1-3-24-11-6-17-25(22,23)15-12-13(16(20)21)4-5-14(15)19-9-7-18(2)8-10-19;;/h4-5,12,17H,3,6-11H2,1-2H3,(H,20,21);2*1H