N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(propylsulfonylamino)benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(propylsulfonylamino)benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(propylsulfonylamino)benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(propylsulfonylamino)benzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(propylsulfonylamino)benzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(propylsulfonylamino)benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H26N2O5S/c1-3-12-29(25,26)23-18-7-4-6-17(13-18)21(24)22-15(2)16-8-9-19-20(14-16)28-11-5-10-27-19/h4,6-9,13-15,23H,3,5,10-12H2,1-2H3,(H,22,24)