(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol Openeye Name: (2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(2-naphthyloxy)propan-2-ol CAS Name: (2S)-1-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-3-(2-naphthalenyloxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-naphthalen-2-yloxypropan-2-ol Traditional Name: (2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(2-naphthoxy)propan-2-ol Formula: C23H26ClN2O4S+ MolecularWeight: 461.98154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN2O4S/c24-20-6-9-23(10-7-20)31(28,29)26-13-11-25(12-14-26)16-21(27)17-30-22-8-5-18-3-1-2-4-19(18)15-22/h1-10,15,21,27H,11-14,16-17H2/p+1/t21-/m0/s1