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

Systemtic Name: (2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-3-(4-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-methylphenoxy)-3-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H31N2O5S+ MolecularWeight: 435.55694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H](COC3=CC=C(C=C3)C)O

InChI

InChI=1S/C22H30N2O5S/c1-3-28-20-8-10-22(11-9-20)30(26,27)24-14-12-23(13-15-24)16-19(25)17-29-21-6-4-18(2)5-7-21/h4-11,19,25H,3,12-17H2,1-2H3/p+1/t19-/m0/s1