4-(5-azanyl-5-azanylidene-4-methyl-1-phenoxy-pentoxy)benzenecarboximidamide; 2-oxidanylethanesulfonic acid

Systemtic Name: 4-(5-azanyl-5-azanylidene-4-methyl-1-phenoxy-pentoxy)benzenecarboximidamide; 2-oxidanylethanesulfonic acid Openeye Name: 4-(5-amino-5-imino-4-methyl-1-phenoxy-pentoxy)benzamidine; 2-hydroxyethanesulfonic acid CAS Name: 4-(5-amino-5-imino-4-methyl-1-phenoxypentoxy)benzenecarboximidamide; 2-hydroxyethanesulfonic acid IUPAC Name: 4-(5-amino-5-imino-4-methyl-1-phenoxypentoxy)benzenecarboximidamide; 2-hydroxyethanesulfonic acid Traditional Name: 4-(5-amino-5-imino-4-methyl-1-phenoxy-pentoxy)benzamidine; 2-hydroxyethanesulfonic acid Formula: C23H36N4O10S2 MolecularWeight: 592.68274

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(OC1=CC=CC=C1)OC2=CC=C(C=C2)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

Isomeric SMILES

CC(CCC(OC1=CC=CC=C1)OC2=CC=C(C=C2)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

InChI

InChI=1S/C19H24N4O2.2C2H6O4S/c1-13(18(20)21)7-12-17(24-15-5-3-2-4-6-15)25-16-10-8-14(9-11-16)19(22)23;2*3-1-2-7(4,5)6/h2-6,8-11,13,17H,7,12H2,1H3,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)