5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-3-methyl-2-benzofurancarboxylate IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-coumarilate Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)[O-]

InChI

InChI=1S/C16H20N2O5S/c1-3-17-6-8-18(9-7-17)24(21,22)12-4-5-14-13(10-12)11(2)15(23-14)16(19)20/h4-5,10H,3,6-9H2,1-2H3,(H,19,20)