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

Systemtic Name: 5-phenyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole CAS Name: 5-phenyl-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-phenyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-5-phenyl-oxazole Formula: C23H28N3O3S+ MolecularWeight: 426.55172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-18(2)19-8-10-21(11-9-19)30(27,28)26-14-12-25(13-15-26)17-23-24-16-22(29-23)20-6-4-3-5-7-20/h3-11,16,18H,12-15,17H2,1-2H3/p+1