3-methylsulfonyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide

Systemtic Name: 3-methylsulfonyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide Openeye Name: 3-methylsulfonyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide CAS Name: 3-methylsulfonyl-N-[[3-[3-(1-piperazinylmethyl)phenyl]phenyl]methyl]benzamide IUPAC Name: 3-methylsulfonyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide Traditional Name: 3-mesyl-N-[3-[3-(piperazinomethyl)phenyl]benzyl]benzamide Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

InChI

InChI=1S/C26H29N3O3S/c1-33(31,32)25-10-4-9-24(17-25)26(30)28-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-29-13-11-27-12-14-29/h2-10,15-17,27H,11-14,18-19H2,1H3,(H,28,30)