N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(3-phenylpropylsulfonyl)ethanamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(3-phenylpropylsulfonyl)ethanamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-(3-phenylpropylsulfonyl)acetamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-(3-phenylpropylsulfonyl)acetamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-(3-phenylpropylsulfonyl)acetamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(3-phenylpropylsulfonyl)acetamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CS(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CS(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S/c25-19-14-24(11-10-21-19)18-9-8-17(13-22-18)23-20(26)15-29(27,28)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,13H,4,7,10-12,14-15H2,(H,21,25)(H,23,26)