N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-15(21(25)23-17-8-6-16(7-9-17)22(2,3)4)24-30(26,27)18-10-11-19-20(14-18)29-13-5-12-28-19/h6-11,14-15,24H,5,12-13H2,1-4H3,(H,23,25)