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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)NCC3=CN=CC=C3

InChI

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