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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)OC1

InChI

InChI=1S/C20H21N3O6S/c24-19-13-23(8-7-21-19)30(26,27)16-4-1-3-14(11-16)20(25)22-15-5-6-17-18(12-15)29-10-2-9-28-17/h1,3-6,11-12H,2,7-10,13H2,(H,21,24)(H,22,25)