4-[4-(4-azanyl-2-chloranyl-phenoxy)butoxy]benzenecarboximidamide; benzenesulfonic acid

Systemtic Name: 4-[4-(4-azanyl-2-chloranyl-phenoxy)butoxy]benzenecarboximidamide; benzenesulfonic acid Openeye Name: 4-[4-(4-amino-2-chloro-phenoxy)butoxy]benzamidine; benzenesulfonic acid CAS Name: 4-[4-(4-amino-2-chlorophenoxy)butoxy]benzenecarboximidamide; benzenesulfonic acid IUPAC Name: 4-[4-(4-amino-2-chlorophenoxy)butoxy]benzenecarboximidamide; benzenesulfonic acid Traditional Name: 4-[4-(4-amino-2-chloro-phenoxy)butoxy]benzamidine; besylic acid Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(=N)N)OCCCCOC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(=N)N)OCCCCOC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C17H20ClN3O2.C6H6O3S/c18-15-11-13(19)5-8-16(15)23-10-2-1-9-22-14-6-3-12(4-7-14)17(20)21;7-10(8,9)6-4-2-1-3-5-6/h3-8,11H,1-2,9-10,19H2,(H3,20,21);1-5H,(H,7,8,9)