N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C24H30N4O4S MolecularWeight: 470.5844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H30N4O4S/c1-24(2,27-12-10-18-6-3-4-7-20(18)15-27)17-26-23(30)19-8-5-9-21(14-19)33(31,32)28-13-11-25-22(29)16-28/h3-9,14H,10-13,15-17H2,1-2H3,(H,25,29)(H,26,30)