(5-chloranyl-1-benzofuran-2-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (5-chlorobenzofuran-2-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (5-chlorobenzofuran-2-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C22H21ClN2O6S MolecularWeight: 476.92994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl)OC1

InChI

InChI=1S/C22H21ClN2O6S/c23-16-2-4-18-15(12-16)13-21(31-18)22(26)24-6-8-25(9-7-24)32(27,28)17-3-5-19-20(14-17)30-11-1-10-29-19/h2-5,12-14H,1,6-11H2