4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid

Systemtic Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid Openeye Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid CAS Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid IUPAC Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid Traditional Name: 4-[5-(4-amidinophenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid Formula: C25H42N4O14S3 MolecularWeight: 718.81438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

InChI

InChI=1S/C19H24N4O2.3C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;3*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);3*3H,1-2H2,(H,4,5,6)