4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]sulfonyl-3,5-dimethyl-isoxazole Formula: C18H23N3O7S2 MolecularWeight: 457.52112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H23N3O7S2/c1-13-18(14(2)28-19-13)30(24,25)21-8-6-20(7-9-21)29(22,23)15-4-5-16-17(12-15)27-11-3-10-26-16/h4-5,12H,3,6-11H2,1-2H3