N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H20N4O4S2/c1-2-24(20-22-16-8-3-4-9-17(16)29-20)19(26)14-6-5-7-15(12-14)30(27,28)23-11-10-21-18(25)13-23/h3-9,12H,2,10-11,13H2,1H3,(H,21,25)