(2S)-1-(3-bromanylphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-bromanylphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3-bromophenoxy)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(3-bromophenoxy)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(3-bromophenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3-bromophenoxy)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C17H22BrN2O4S2+ MolecularWeight: 462.40158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC(=CC=C2)Br)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC(=CC=C2)Br)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21BrN2O4S2/c18-14-3-1-4-16(11-14)24-13-15(21)12-19-6-8-20(9-7-19)26(22,23)17-5-2-10-25-17/h1-5,10-11,15,21H,6-9,12-13H2/p+1/t15-/m0/s1