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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NC3=CC=C(C=C3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NC3=CC=C(C=C3)C(=O)N)OC1

InChI

InChI=1S/C20H23N3O6S/c21-20(25)14-4-6-15(7-5-14)23-19(24)3-1-10-22-30(26,27)16-8-9-17-18(13-16)29-12-2-11-28-17/h4-9,13,22H,1-3,10-12H2,(H2,21,25)(H,23,24)