3-bromanyl-2-[3-(2-bromanyl-6-carbamimidoyl-phenoxy)propoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid

Systemtic Name: 3-bromanyl-2-[3-(2-bromanyl-6-carbamimidoyl-phenoxy)propoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid Openeye Name: 3-bromo-2-[3-(2-bromo-6-carbamimidoyl-phenoxy)propoxy]benzamidine; 2-hydroxyethanesulfonic acid CAS Name: 3-bromo-2-[3-(2-bromo-6-carbamimidoylphenoxy)propoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid IUPAC Name: 3-bromo-2-[3-(2-bromo-6-carbamimidoylphenoxy)propoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid Traditional Name: 2-[3-(2-amidino-6-bromo-phenoxy)propoxy]-3-bromo-benzamidine; 2-hydroxyethanesulfonic acid Formula: C21H30Br2N4O10S2 MolecularWeight: 722.4217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Br)OCCCOC2=C(C=CC=C2Br)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)Br)OCCCOC2=C(C=CC=C2Br)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

InChI

InChI=1S/C17H18Br2N4O2.2C2H6O4S/c18-12-6-1-4-10(16(20)21)14(12)24-8-3-9-25-15-11(17(22)23)5-2-7-13(15)19;2*3-1-2-7(4,5)6/h1-2,4-7H,3,8-9H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)