N-cyclopropyl-4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(furan-2-ylmethyl)amino]methyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(furan-2-ylmethyl)amino]methyl]benzamide Openeye Name: N-cyclopropyl-4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(2-furylmethyl)amino]methyl]benzamide CAS Name: N-cyclopropyl-4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(2-furanylmethyl)amino]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(furan-2-ylmethyl)amino]methyl]benzamide Traditional Name: N-cyclopropyl-4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(2-furfuryl)amino]methyl]benzamide Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)C(=O)NC4CC4)CC5=CC=CO5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)C(=O)NC4CC4)CC5=CC=CO5)OC1

InChI

InChI=1S/C25H26N2O6S/c28-25(26-20-8-9-20)19-6-4-18(5-7-19)16-27(17-21-3-1-12-31-21)34(29,30)22-10-11-23-24(15-22)33-14-2-13-32-23/h1,3-7,10-12,15,20H,2,8-9,13-14,16-17H2,(H,26,28)