2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonylphenoxy]ethanamide

Systemtic Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonylphenoxy]ethanamide Openeye Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]phenoxy]acetamide CAS Name: 2-[4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]phenoxy]acetamide IUPAC Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]phenoxy]acetamide Traditional Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]phenoxy]acetamide Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OCC(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OCC(=O)N)OC1

InChI

InChI=1S/C22H25N3O7S/c23-21(26)15-32-17-4-2-16(3-5-17)22(27)24-8-10-25(11-9-24)33(28,29)18-6-7-19-20(14-18)31-13-1-12-30-19/h2-7,14H,1,8-13,15H2,(H2,23,26)