(1S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-1-phenyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)ethanol Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-2-26-18-8-10-19(11-9-18)27(24,25)22-14-12-21(13-15-22)16-20(23)17-6-4-3-5-7-17/h3-11,20,23H,2,12-16H2,1H3/p+1/t20-/m1/s1