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

Systemtic Name: (2-methoxy-5-methyl-phenyl) 7-piperazin-1-yl-1-benzofuran-5-sulfonate Openeye Name: (2-methoxy-5-methyl-phenyl) 7-piperazin-1-ylbenzofuran-5-sulfonate CAS Name: 7-(1-piperazinyl)-5-benzofuransulfonic acid (2-methoxy-5-methylphenyl) ester IUPAC Name: (2-methoxy-5-methylphenyl) 7-piperazin-1-yl-1-benzofuran-5-sulfonate Traditional Name: 7-piperazinobenzofuran-5-sulfonic acid (2-methoxy-5-methyl-phenyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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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)N4CCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC(=C3C(=C2)C=CO3)N4CCNCC4

InChI

InChI=1S/C20H22N2O5S/c1-14-3-4-18(25-2)19(11-14)27-28(23,24)16-12-15-5-10-26-20(15)17(13-16)22-8-6-21-7-9-22/h3-5,10-13,21H,6-9H2,1-2H3