1-[2-[1H-imidazol-5-yl(methyl)amino]ethyl]-2-methyl-1-(phenylsulfonyl)guanidine

Systemtic Name: 1-[2-[1H-imidazol-5-yl(methyl)amino]ethyl]-2-methyl-1-(phenylsulfonyl)guanidine Openeye Name: 1-(benzenesulfonyl)-1-[2-[1H-imidazol-5-yl(methyl)amino]ethyl]-2-methyl-guanidine CAS Name: 1-(benzenesulfonyl)-1-[2-[1H-imidazol-5-yl(methyl)amino]ethyl]-2-methylguanidine IUPAC Name: 1-(benzenesulfonyl)-1-[2-[1H-imidazol-5-yl(methyl)amino]ethyl]-2-methylguanidine Traditional Name: 1-besyl-1-[2-[1H-imidazol-5-yl(methyl)amino]ethyl]-2-methyl-guanidine Formula: C14H20N6O2S MolecularWeight: 336.4126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)N(CCN(C)C1=CN=CN1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN=C(N)N(CCN(C)C1=CN=CN1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H20N6O2S/c1-16-14(15)20(9-8-19(2)13-10-17-11-18-13)23(21,22)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,16)(H,17,18)