[3-(phenoxymethyl)-1-benzofuran-2-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(phenoxymethyl)-1-benzofuran-2-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)benzofuran-2-yl]methanone CAS Name: [3-(phenoxymethyl)-2-benzofuranyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)-1-benzofuran-2-yl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[3-(phenoxymethyl)benzofuran-2-yl]methanone Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O5S/c30-27(28-15-17-29(18-16-28)35(31,32)20-21-9-3-1-4-10-21)26-24(19-33-22-11-5-2-6-12-22)23-13-7-8-14-25(23)34-26/h1-14H,15-20H2