2-[1-(4-tert-butylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-oxo-piperazin-2-yl]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-oxo-2-piperazinyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-keto-piperazin-2-yl]-N-(2-pyridylmethyl)acetamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O4S/c1-22(2,3)16-7-9-18(10-8-16)31(29,30)26-13-12-24-21(28)19(26)14-20(27)25-15-17-6-4-5-11-23-17/h4-11,19H,12-15H2,1-3H3,(H,24,28)(H,25,27)