4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-methyl-benzamide Openeye Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-methyl-benzamide CAS Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]-N-methylbenzamide IUPAC Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-methylbenzamide Traditional Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-methyl-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23N3O6S/c1-21-20(25)14-3-5-15(6-4-14)23-19(24)9-10-22-30(26,27)16-7-8-17-18(13-16)29-12-2-11-28-17/h3-8,13,22H,2,9-12H2,1H3,(H,21,25)(H,23,24)