(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-3-(3-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Formula: C22H31N2O4S+ MolecularWeight: 419.55754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)O

InChI

InChI=1S/C22H30N2O4S/c1-17-5-4-6-21(14-17)28-16-20(25)15-23-9-11-24(12-10-23)29(26,27)22-8-7-18(2)13-19(22)3/h4-8,13-14,20,25H,9-12,15-16H2,1-3H3/p+1/t20-/m0/s1