2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-methoxy-3-morpholinosulfonyl-phenyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-methoxy-3-morpholinosulfonyl-phenyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C20H26N5O5S+ MolecularWeight: 448.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4)C#N

InChI

InChI=1S/C20H25N5O5S/c1-23-5-7-24(8-6-23)20-16(14-21)22-19(30-20)15-3-4-17(28-2)18(13-15)31(26,27)25-9-11-29-12-10-25/h3-4,13H,5-12H2,1-2H3/p+1