[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-3-methyl-2-benzofuranyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-yl]-(4-ethylpiperazino)methanone Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H31N3O4S/c1-3-23-12-14-24(15-13-23)22(26)21-17(2)19-16-18(8-9-20(19)29-21)30(27,28)25-10-6-4-5-7-11-25/h8-9,16H,3-7,10-15H2,1-2H3