N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-furan-2-carboxamide

Systemtic Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-furan-2-carboxamide Openeye Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-N-methyl-furan-2-carboxamide CAS Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-N-methyl-2-furancarboxamide IUPAC Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide Traditional Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-ethyl]-N-methyl-2-furamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)C4=CC=CO4

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H25N3O7S/c1-22(21(26)18-4-2-11-30-18)15-20(25)23-7-9-24(10-8-23)32(27,28)16-5-6-17-19(14-16)31-13-3-12-29-17/h2,4-6,11,14H,3,7-10,12-13,15H2,1H3