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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propionamide Formula: C24H22N2O5S2 MolecularWeight: 482.57188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CS2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CS2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H22N2O5S2/c1-17(26-33(28,29)21-10-11-22-23(16-21)31-13-4-12-30-22)24(27)25-19-6-2-5-18(15-19)8-9-20-7-3-14-32-20/h2-3,5-7,10-11,14-17,26H,4,12-13H2,1H3,(H,25,27)