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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl

InChI

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