3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide Openeye Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide IUPAC Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide Traditional Name: 3-[(4-mesylpiperazino)methyl]-N-(2,3,4-trimethoxybenzyl)benzamide Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C23H31N3O6S/c1-30-20-9-8-19(21(31-2)22(20)32-3)15-24-23(27)18-7-5-6-17(14-18)16-25-10-12-26(13-11-25)33(4,28)29/h5-9,14H,10-13,15-16H2,1-4H3,(H,24,27)