N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-homopiperonyl-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

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