4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-2-one

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-2-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-2-one CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-piperazinone IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-2-one Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-2-one Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCNC(=O)C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCNC(=O)C3)OC1

InChI

InChI=1S/C13H16N2O5S/c16-13-9-15(5-4-14-13)21(17,18)10-2-3-11-12(8-10)20-7-1-6-19-11/h2-3,8H,1,4-7,9H2,(H,14,16)