N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O6S/c1-16(26)24-8-10-25(11-9-24)32(28,29)19-5-2-4-17(14-19)22(27)23-18-6-7-20-21(15-18)31-13-3-12-30-20/h2,4-7,14-15H,3,8-13H2,1H3,(H,23,27)