2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(1,1,3,3-tetramethylbutyl)acetamide CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-(1,1,3,3-tetramethylbutyl)acetamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)CN1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)CN1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H35N3O3S/c1-20(2,3)17-21(4,5)22-19(25)15-23-11-13-24(14-12-23)28(26,27)16-18-9-7-6-8-10-18/h6-10H,11-17H2,1-5H3,(H,22,25)