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

Systemtic Name: ethyl 4-[4-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(2R)-2-hydroxy-3-(2-naphthyloxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2R)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2R)-2-hydroxy-3-(2-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=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C26H30N2O6S/c1-2-33-26(30)21-8-11-25(12-9-21)35(31,32)28-15-13-27(14-16-28)18-23(29)19-34-24-10-7-20-5-3-4-6-22(20)17-24/h3-12,17,23,29H,2,13-16,18-19H2,1H3/p+1/t23-/m1/s1