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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-3-methyl-2-benzofuranyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-yl]-(4-methylpiperazino)methanone Formula: C21H29N3O4S MolecularWeight: 419.53766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H29N3O4S/c1-16-18-15-17(29(26,27)24-9-5-3-4-6-10-24)7-8-19(18)28-20(16)21(25)23-13-11-22(2)12-14-23/h7-8,15H,3-6,9-14H2,1-2H3