[[4-(1H-imidazol-5-yl)phenyl]amino]-octylimino-methanesulfonic acid

Systemtic Name: [[4-(1H-imidazol-5-yl)phenyl]amino]-octylimino-methanesulfonic acid Openeye Name: [4-(1H-imidazol-5-yl)anilino]-octylimino-methanesulfonic acid CAS Name: [4-(1H-imidazol-5-yl)anilino]-octyliminomethanesulfonic acid IUPAC Name: [4-(1H-imidazol-5-yl)anilino]-octyliminomethanesulfonic acid Traditional Name: [4-(1H-imidazol-5-yl)anilino]-octylimino-methanesulfonic acid Formula: C18H26N4O3S MolecularWeight: 378.48904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C(NC1=CC=C(C=C1)C2=CN=CN2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCN=C(NC1=CC=C(C=C1)C2=CN=CN2)S(=O)(=O)O

InChI

InChI=1S/C18H26N4O3S/c1-2-3-4-5-6-7-12-20-18(26(23,24)25)22-16-10-8-15(9-11-16)17-13-19-14-21-17/h8-11,13-14H,2-7,12H2,1H3,(H,19,21)(H,20,22)(H,23,24,25)