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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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