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

Systemtic Name: N-[4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[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=C(C=C3)NC(=O)C4CC4)OC1

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6S/c27-22(24-15-16-2-6-18(7-3-16)26-23(28)17-4-5-17)10-11-25-33(29,30)19-8-9-20-21(14-19)32-13-1-12-31-20/h2-3,6-9,14,17,25H,1,4-5,10-13,15H2,(H,24,27)(H,26,28)