[3-(dimethylamino)-1-phenyl-propyl] 4-(diethylsulfamoyl)benzoate hydrochloride

Systemtic Name: [3-(dimethylamino)-1-phenyl-propyl] 4-(diethylsulfamoyl)benzoate hydrochloride Openeye Name: [3-(dimethylamino)-1-phenyl-propyl] 4-(diethylsulfamoyl)benzoate hydrochloride CAS Name: 4-(diethylsulfamoyl)benzoic acid [3-(dimethylamino)-1-phenylpropyl] ester hydrochloride IUPAC Name: [3-(dimethylamino)-1-phenylpropyl] 4-(diethylsulfamoyl)benzoate hydrochloride Traditional Name: 4-(diethylsulfamoyl)benzoic acid [3-(dimethylamino)-1-phenyl-propyl] ester hydrochloride Formula: C22H31ClN2O4S MolecularWeight: 455.01054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC(CCN(C)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC(CCN(C)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C22H30N2O4S.ClH/c1-5-24(6-2)29(26,27)20-14-12-19(13-15-20)22(25)28-21(16-17-23(3)4)18-10-8-7-9-11-18;/h7-15,21H,5-6,16-17H2,1-4H3;1H