N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C19H18BrN3O6S MolecularWeight: 496.33172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H18BrN3O6S/c20-14-9-16-17(29-7-6-28-16)10-15(14)22-19(25)12-2-1-3-13(8-12)30(26,27)23-5-4-21-18(24)11-23/h1-3,8-10H,4-7,11H2,(H,21,24)(H,22,25)