2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-ethynylphenyl)-3-methyl-butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-ethynylphenyl)-3-methyl-butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-ethynylphenyl)-3-methyl-butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-ethynylphenyl)-3-methylbutanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-ethynylphenyl)-3-methylbutanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-ethynylphenyl)-3-methyl-butyramide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C#C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC(=C1)C#C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H24N2O5S/c1-4-16-7-5-8-17(13-16)23-22(25)21(15(2)3)24-30(26,27)18-9-10-19-20(14-18)29-12-6-11-28-19/h1,5,7-10,13-15,21,24H,6,11-12H2,2-3H3,(H,23,25)