2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-1-(4-ethylpiperazino)propan-1-one Formula: C22H34N4O5S MolecularWeight: 466.59416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H34N4O5S/c1-3-23-7-9-25(10-8-23)22(27)18(2)24-11-13-26(14-12-24)32(28,29)19-5-6-20-21(17-19)31-16-4-15-30-20/h5-6,17-18H,3-4,7-16H2,1-2H3