2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole

Systemtic Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Openeye Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole CAS Name: 2-[[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyloxazole IUPAC Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Traditional Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole Formula: C20H21ClN3O3S+ MolecularWeight: 418.91704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-17-7-4-8-18(13-17)28(25,26)24-11-9-23(10-12-24)15-20-22-14-19(27-20)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/p+1