3-(7-carbamimidoylnaphthalen-2-yl)-2-(ethoxycarbonylamino)-2-sulfamoyl-propanoic acid dihydrochloride

Systemtic Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-(ethoxycarbonylamino)-2-sulfamoyl-propanoic acid dihydrochloride Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-(ethoxycarbonylamino)-2-sulfamoyl-propanoic acid dihydrochloride CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-(ethoxycarbonylamino)-2-sulfamoylpropanoic acid dihydrochloride IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-(ethoxycarbonylamino)-2-sulfamoylpropanoic acid dihydrochloride Traditional Name: 3-(7-amidino-2-naphthyl)-2-(carbethoxyamino)-2-sulfamoyl-propionic acid dihydrochloride Formula: C17H22Cl2N4O6S MolecularWeight: 481.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)(C(=O)O)S(=O)(=O)N.Cl.Cl

Isomeric SMILES

CCOC(=O)NC(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)(C(=O)O)S(=O)(=O)N.Cl.Cl

InChI

InChI=1S/C17H20N4O6S.2ClH/c1-2-27-16(24)21-17(15(22)23,28(20,25)26)9-10-3-4-11-5-6-12(14(18)19)8-13(11)7-10;;/h3-8H,2,9H2,1H3,(H3,18,19)(H,21,24)(H,22,23)(H2,20,25,26);2*1H