N-(5-morpholin-4-ylpyridin-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-morpholin-4-ylpyridin-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-morpholino-2-pyridyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[5-(4-morpholinyl)-2-pyridinyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-morpholin-4-ylpyridin-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(5-morpholino-2-pyridyl)benzamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H23N5O5S/c26-19-14-25(7-6-21-19)31(28,29)17-3-1-2-15(12-17)20(27)23-18-5-4-16(13-22-18)24-8-10-30-11-9-24/h1-5,12-13H,6-11,14H2,(H,21,26)(H,22,23,27)