5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-(phenylsulfonyl)-1,3-oxazole

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-(phenylsulfonyl)-1,3-oxazole Openeye Name: 4-(benzenesulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-oxazole CAS Name: 4-(benzenesulfonyl)-5-(4-methyl-1-piperazin-4-iumyl)-2-phenyloxazole IUPAC Name: 4-(benzenesulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole Traditional Name: 4-besyl-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-oxazole Formula: C20H22N3O3S+ MolecularWeight: 384.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S/c1-22-12-14-23(15-13-22)20-19(27(24,25)17-10-6-3-7-11-17)21-18(26-20)16-8-4-2-5-9-16/h2-11H,12-15H2,1H3/p+1