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

Systemtic Name: methyl 5-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H20ClN2O5S2+ MolecularWeight: 419.9234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)OC

InChI

InChI=1S/C16H19ClN2O5S2/c1-11-13(16(20)23-2)9-12(24-11)10-18-5-7-19(8-6-18)26(21,22)15-4-3-14(17)25-15/h3-4,9H,5-8,10H2,1-2H3/p+1