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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-quinoxalin-2-yl-methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-quinoxalin-2-yl-methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(2-quinoxalinyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-quinoxalin-2-ylmethanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-quinoxalin-2-yl-methanone Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=NC5=CC=CC=C5N=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=NC5=CC=CC=C5N=C4)OC1

InChI

InChI=1S/C22H22N4O5S/c27-22(19-15-23-17-4-1-2-5-18(17)24-19)25-8-10-26(11-9-25)32(28,29)16-6-7-20-21(14-16)31-13-3-12-30-20/h1-2,4-7,14-15H,3,8-13H2