(2-methoxy-5-methyl-phenyl) 7-(piperazin-1-ylmethyl)-1-benzofuran-5-sulfonate

Systemtic Name: (2-methoxy-5-methyl-phenyl) 7-(piperazin-1-ylmethyl)-1-benzofuran-5-sulfonate Openeye Name: (2-methoxy-5-methyl-phenyl) 7-(piperazin-1-ylmethyl)benzofuran-5-sulfonate CAS Name: 7-(1-piperazinylmethyl)-5-benzofuransulfonic acid (2-methoxy-5-methylphenyl) ester IUPAC Name: (2-methoxy-5-methylphenyl) 7-(piperazin-1-ylmethyl)-1-benzofuran-5-sulfonate Traditional Name: 7-(piperazinomethyl)benzofuran-5-sulfonic acid (2-methoxy-5-methyl-phenyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC(=C3C(=C2)C=CO3)CN4CCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC(=C3C(=C2)C=CO3)CN4CCNCC4

InChI

InChI=1S/C21H24N2O5S/c1-15-3-4-19(26-2)20(11-15)28-29(24,25)18-12-16-5-10-27-21(16)17(13-18)14-23-8-6-22-7-9-23/h3-5,10-13,22H,6-9,14H2,1-2H3