(2S)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C25H28N3O6S+ MolecularWeight: 498.57132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O6S/c29-23(19-34-24-11-9-21(10-12-24)20-5-2-1-3-6-20)18-26-13-15-27(16-14-26)35(32,33)25-8-4-7-22(17-25)28(30)31/h1-12,17,23,29H,13-16,18-19H2/p+1/t23-/m0/s1