4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]-7,8-dimethyl-coumarin Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5)C

InChI

InChI=1S/C25H28N2O6S/c1-17-4-6-21-19(14-24(28)33-25(21)18(17)2)16-26-8-10-27(11-9-26)34(29,30)20-5-7-22-23(15-20)32-13-3-12-31-22/h4-7,14-15H,3,8-13,16H2,1-2H3