N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2-(3-phenylpropylsulfonyl)ethanamide

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2-(3-phenylpropylsulfonyl)ethanamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(3-phenylpropylsulfonyl)acetamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2-(3-phenylpropylsulfonyl)acetamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(3-phenylpropylsulfonyl)acetamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-(3-phenylpropylsulfonyl)acetamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c26-21-16-25(13-12-23-21)20-10-8-19(9-11-20)15-24-22(27)17-30(28,29)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2,(H,23,26)(H,24,27)