N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)OCO2

InChI

InChI=1S/C20H19N3O7S/c1-12(24)15-8-17-18(30-11-29-17)9-16(15)22-20(26)13-3-2-4-14(7-13)31(27,28)23-6-5-21-19(25)10-23/h2-4,7-9H,5-6,10-11H2,1H3,(H,21,25)(H,22,26)