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

Systemtic Name: 3-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1-benzofuran-2-carboxylate Openeye Name: 3-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzofuran-2-carboxylate CAS Name: 3-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-benzofurancarboxylate IUPAC Name: 3-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-coumarilate Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C(=O)[O-]

InChI

InChI=1S/C15H18N2O5S/c1-10-12-9-11(3-4-13(12)22-14(10)15(18)19)23(20,21)17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,18,19)