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

Systemtic Name: (2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol Openeye Name: (2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol CAS Name: (2S)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-3-[(4-methoxyphenyl)methoxy]-2-propanol IUPAC Name: (2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol Traditional Name: (2S)-1-p-anisyloxy-3-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C23H33N2O6S+ MolecularWeight: 465.58292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COCC3=CC=C(C=C3)OC)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H](COCC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C23H32N2O6S/c1-3-31-22-8-10-23(11-9-22)32(27,28)25-14-12-24(13-15-25)16-20(26)18-30-17-19-4-6-21(29-2)7-5-19/h4-11,20,26H,3,12-18H2,1-2H3/p+1/t20-/m0/s1