4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide

Systemtic Name: 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide Openeye Name: N-(3-allyloxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: 4-[(4-methylsulfonyl-1-piperazinyl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide IUPAC Name: 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide Traditional Name: N-(3-allyloxyphenyl)-4-[(4-mesylpiperazino)methyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OCC=C

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C22H27N3O4S/c1-3-15-29-21-6-4-5-20(16-21)23-22(26)19-9-7-18(8-10-19)17-24-11-13-25(14-12-24)30(2,27)28/h3-10,16H,1,11-15,17H2,2H3,(H,23,26)