4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide Openeye Name: 4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]methyl]benzamidine CAS Name: 4-[[4-[3-(1-imidazolylmethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]methyl]benzenecarboximidamide IUPAC Name: 4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]methyl]benzenecarboximidamide Traditional Name: 4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-keto-piperazino]methyl]benzamidine Formula: C22H24N6O3S MolecularWeight: 452.52936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC=CC(=C2)CN3C=CN=C3)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC=CC(=C2)CN3C=CN=C3)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H24N6O3S/c23-22(24)19-6-4-17(5-7-19)14-27-10-11-28(15-21(27)29)32(30,31)20-3-1-2-18(12-20)13-26-9-8-25-16-26/h1-9,12,16H,10-11,13-15H2,(H3,23,24)