ethyl 4-[4-[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2S)-2-hydroxy-3-(1-naphthoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C26H31N2O6S+ MolecularWeight: 499.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H](COC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C26H30N2O6S/c1-2-33-26(30)21-10-12-23(13-11-21)35(31,32)28-16-14-27(15-17-28)18-22(29)19-34-25-9-5-7-20-6-3-4-8-24(20)25/h3-13,22,29H,2,14-19H2,1H3/p+1/t22-/m0/s1