3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-(4-pyridylmethyl)benzamide CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(4-pyridylmethyl)benzamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c22-16-12-21(9-8-19-16)26(24,25)15-3-1-2-14(10-15)17(23)20-11-13-4-6-18-7-5-13/h1-7,10H,8-9,11-12H2,(H,19,22)(H,20,23)