(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol Openeye Name: (2R)-1-(3-phenoxyphenoxy)-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-3-(3-phenoxyphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol Traditional Name: (2R)-1-(3-phenoxyphenoxy)-3-(4-tosylpiperazin-1-ium-1-yl)propan-2-ol Formula: C26H31N2O5S+ MolecularWeight: 483.59974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC=CC(=C3)OC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=CC=CC(=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O5S/c1-21-10-12-26(13-11-21)34(30,31)28-16-14-27(15-17-28)19-22(29)20-32-24-8-5-9-25(18-24)33-23-6-3-2-4-7-23/h2-13,18,22,29H,14-17,19-20H2,1H3/p+1/t22-/m1/s1