sulfamoyl 2-[(7-carbamimidoylnaphthalen-2-yl)methyl]benzoate dihydrochloride

Systemtic Name: sulfamoyl 2-[(7-carbamimidoylnaphthalen-2-yl)methyl]benzoate dihydrochloride Openeye Name: sulfamoyl 2-[(7-carbamimidoyl-2-naphthyl)methyl]benzoate dihydrochloride CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl]benzoic acid sulfamoyl ester dihydrochloride IUPAC Name: sulfamoyl 2-[(7-carbamimidoylnaphthalen-2-yl)methyl]benzoate dihydrochloride Traditional Name: 2-[(7-amidino-2-naphthyl)methyl]benzoic acid sulfamoyl ester dihydrochloride Formula: C19H19Cl2N3O4S MolecularWeight: 456.34286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)C(=O)OS(=O)(=O)N.Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)C(=O)OS(=O)(=O)N.Cl.Cl

InChI

InChI=1S/C19H17N3O4S.2ClH/c20-18(21)15-8-7-13-6-5-12(10-16(13)11-15)9-14-3-1-2-4-17(14)19(23)26-27(22,24)25;;/h1-8,10-11H,9H2,(H3,20,21)(H2,22,24,25);2*1H