N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(3-tert-butylisoxazol-5-yl)acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-(3-tert-butylisoxazol-5-yl)acetamide Formula: C20H28N4O4S MolecularWeight: 420.52572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O4S/c1-20(2,3)17-13-19(28-22-17)21-18(25)14-23-9-11-24(12-10-23)29(26,27)15-16-7-5-4-6-8-16/h4-8,13H,9-12,14-15H2,1-3H3,(H,21,25)