3-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-ethyl]-1,3-benzoxazol-2-one Formula: C22H23N3O7S MolecularWeight: 473.49892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5OC4=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5OC4=O)OC1

InChI

InChI=1S/C22H23N3O7S/c26-21(15-25-17-4-1-2-5-18(17)32-22(25)27)23-8-10-24(11-9-23)33(28,29)16-6-7-19-20(14-16)31-13-3-12-30-19/h1-2,4-7,14H,3,8-13,15H2