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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-4-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(3,4-diethoxybenzyl)-4-[(4-mesylpiperazino)methyl]benzamide Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)OCC

InChI

InChI=1S/C24H33N3O5S/c1-4-31-22-11-8-20(16-23(22)32-5-2)17-25-24(28)21-9-6-19(7-10-21)18-26-12-14-27(15-13-26)33(3,29)30/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,25,28)