(5-chloranyl-1-benzofuran-2-yl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chlorobenzofuran-2-yl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-chlorobenzofuran-2-yl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]methanone Formula: C21H21ClN2O6S MolecularWeight: 464.91924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H21ClN2O6S/c1-28-16-4-6-18(29-2)20(13-16)31(26,27)24-9-7-23(8-10-24)21(25)19-12-14-11-15(22)3-5-17(14)30-19/h3-6,11-13H,7-10H2,1-2H3