N-[3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4)OC1

InChI

InChI=1S/C23H27N3O6S/c27-22(24-15-16-3-1-4-18(13-16)26-23(28)17-5-6-17)9-10-25-33(29,30)19-7-8-20-21(14-19)32-12-2-11-31-20/h1,3-4,7-8,13-14,17,25H,2,5-6,9-12,15H2,(H,24,27)(H,26,28)