N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(2-morpholino-4-pyridyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[(2-morpholino-4-pyridyl)methyl]benzamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4

InChI

InChI=1S/C21H25N5O5S/c27-20-15-26(7-6-23-20)32(29,30)18-3-1-2-17(13-18)21(28)24-14-16-4-5-22-19(12-16)25-8-10-31-11-9-25/h1-5,12-13H,6-11,14-15H2,(H,23,27)(H,24,28)