N-(1-cyanocyclohexyl)-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]amino]propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]amino]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)anilino]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)anilino]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)anilino]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)anilino]propionamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H30N4O5S/c1-18(24(30)28-25(17-26)12-3-2-4-13-25)27-19-6-8-20(9-7-19)29-35(31,32)21-10-11-22-23(16-21)34-15-5-14-33-22/h6-11,16,18,27,29H,2-5,12-15H2,1H3,(H,28,30)