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

Systemtic Name: (2S)-1-(diphenylmethyl)oxy-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-benzhydryloxy-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(diphenylmethyl)oxy-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-benzhydryloxy-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-benzhydryloxy-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H29N2O4S2+ MolecularWeight: 473.62806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC(C2=CC=CC=C2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H28N2O4S2/c27-22(18-25-13-15-26(16-14-25)32(28,29)23-12-7-17-31-23)19-30-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,22,24,27H,13-16,18-19H2/p+1/t22-/m0/s1