4-(aminomethyl)benzenesulfonamide dihydrate trihydrochloride

Systemtic Name: 4-(aminomethyl)benzenesulfonamide dihydrate trihydrochloride Openeye Name: 4-(aminomethyl)benzenesulfonamide dihydrate trihydrochloride CAS Name: 4-(aminomethyl)benzenesulfonamide dihydrate trihydrochloride IUPAC Name: 4-(aminomethyl)benzenesulfonamide dihydrate trihydrochloride Traditional Name: 4-(aminomethyl)benzenesulfonamide dihydrate trihydrochloride Formula: C21H37Cl3N6O8S3 MolecularWeight: 704.10788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)S(=O)(=O)N.C1=CC(=CC=C1CN)S(=O)(=O)N.C1=CC(=CC=C1CN)S(=O)(=O)N.O.O.Cl.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1CN)S(=O)(=O)N.C1=CC(=CC=C1CN)S(=O)(=O)N.C1=CC(=CC=C1CN)S(=O)(=O)N.O.O.Cl.Cl.Cl

InChI

InChI=1S/3C7H10N2O2S.3ClH.2H2O/c3*8-5-6-1-3-7(4-2-6)12(9,10)11;;;;;/h3*1-4H,5,8H2,(H2,9,10,11);3*1H;2*1H2