7-bromanyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-bromanyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide Openeye Name: 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzofuran-2-carboxamide CAS Name: 7-bromo-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-benzofurancarboxamide IUPAC Name: 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide Traditional Name: 7-bromo-N-[4-(4-methylpiperazino)sulfonylphenyl]coumarilamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C(=CC=C4)Br

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C(=CC=C4)Br

InChI

InChI=1S/C20H20BrN3O4S/c1-23-9-11-24(12-10-23)29(26,27)16-7-5-15(6-8-16)22-20(25)18-13-14-3-2-4-17(21)19(14)28-18/h2-8,13H,9-12H2,1H3,(H,22,25)