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

Systemtic Name: sulfamoyl 2-[(7-carbamimidoylnaphthalen-2-yl)methyl]butanoate dihydrochloride Openeye Name: sulfamoyl 2-[(7-carbamimidoyl-2-naphthyl)methyl]butanoate dihydrochloride CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl]butanoic acid sulfamoyl ester dihydrochloride IUPAC Name: sulfamoyl 2-[(7-carbamimidoylnaphthalen-2-yl)methyl]butanoate dihydrochloride Traditional Name: 2-[(7-amidino-2-naphthyl)methyl]butyric acid sulfamoyl ester dihydrochloride Formula: C16H21Cl2N3O4S MolecularWeight: 422.32664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C(=O)OS(=O)(=O)N.Cl.Cl

Isomeric SMILES

CCC(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C(=O)OS(=O)(=O)N.Cl.Cl

InChI

InChI=1S/C16H19N3O4S.2ClH/c1-2-11(16(20)23-24(19,21)22)7-10-3-4-12-5-6-13(15(17)18)9-14(12)8-10;;/h3-6,8-9,11H,2,7H2,1H3,(H3,17,18)(H2,19,21,22);2*1H