[[3-(1H-imidazol-5-yl)phenyl]amino]-propan-2-ylimino-methanesulfonic acid

Systemtic Name: [[3-(1H-imidazol-5-yl)phenyl]amino]-propan-2-ylimino-methanesulfonic acid Openeye Name: [3-(1H-imidazol-5-yl)anilino]-isopropylimino-methanesulfonic acid CAS Name: [3-(1H-imidazol-5-yl)anilino]-propan-2-yliminomethanesulfonic acid IUPAC Name: [3-(1H-imidazol-5-yl)anilino]-propan-2-yliminomethanesulfonic acid Traditional Name: [3-(1H-imidazol-5-yl)anilino]-isopropylimino-methanesulfonic acid Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-9(2)16-13(21(18,19)20)17-11-5-3-4-10(6-11)12-7-14-8-15-12/h3-9H,1-2H3,(H,14,15)(H,16,17)(H,18,19,20)