4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-pentan-2-yl-benzamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-pentan-2-yl-benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-methylbutyl)benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-pentan-2-ylbenzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-pentan-2-ylbenzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-methylbutyl)benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCC(C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H26N2O5S/c1-3-5-15(2)22-21(24)16-6-8-17(9-7-16)23-29(25,26)18-10-11-19-20(14-18)28-13-4-12-27-19/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,22,24)