4-[4-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(2R)-2-hydroxy-2-phenylethyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C19H24N3O4S+ MolecularWeight: 390.47656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](C2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H23N3O4S/c20-19(24)16-6-8-17(9-7-16)27(25,26)22-12-10-21(11-13-22)14-18(23)15-4-2-1-3-5-15/h1-9,18,23H,10-14H2,(H2,20,24)/p+1/t18-/m0/s1