N-(2-methoxy-5-methyl-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-methoxy-5-methylphenyl)-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-[(4-mesylpiperazino)methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-16-7-8-20(28-2)19(13-16)22-21(25)18-6-4-5-17(14-18)15-23-9-11-24(12-10-23)29(3,26)27/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)