6-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]sesamol Formula: C16H18ClN2O5S2+ MolecularWeight: 417.90752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C16H17ClN2O5S2/c17-15-1-2-16(25-15)26(21,22)19-5-3-18(4-6-19)9-11-7-13-14(8-12(11)20)24-10-23-13/h1-2,7-8,20H,3-6,9-10H2/p+1