N-[[2-(ethoxymethyl)phenyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[2-(ethoxymethyl)phenyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[[2-(ethoxymethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[[2-(ethoxymethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(ethoxymethyl)benzyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCOCC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H25N3O5S/c1-2-29-15-18-7-4-3-6-17(18)13-23-21(26)16-8-5-9-19(12-16)30(27,28)24-11-10-22-20(25)14-24/h3-9,12H,2,10-11,13-15H2,1H3,(H,22,25)(H,23,26)