N-butyl-2-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzamide

Systemtic Name: N-butyl-2-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzamide Openeye Name: N-butyl-2-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzamide CAS Name: N-butyl-2-[[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: N-butyl-2-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzamide Traditional Name: N-butyl-2-[[3-[(4-esylpiperazino)methyl]benzoyl]amino]benzamide Formula: C25H34N4O4S MolecularWeight: 486.62686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C25H34N4O4S/c1-3-5-13-26-25(31)22-11-6-7-12-23(22)27-24(30)21-10-8-9-20(18-21)19-28-14-16-29(17-15-28)34(32,33)4-2/h6-12,18H,3-5,13-17,19H2,1-2H3,(H,26,31)(H,27,30)