methyl 3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C17H20ClN2O4S2+ MolecularWeight: 415.9347

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN2O4S2/c1-24-17(21)14-4-2-3-13(11-14)12-19-7-9-20(10-8-19)26(22,23)16-6-5-15(18)25-16/h2-6,11H,7-10,12H2,1H3/p+1