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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-3-[(4-ethylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(3,4-diethoxybenzyl)-3-[(4-esylpiperazino)methyl]benzamide Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O5S/c1-4-32-23-11-10-20(17-24(23)33-5-2)18-26-25(29)22-9-7-8-21(16-22)19-27-12-14-28(15-13-27)34(30,31)6-3/h7-11,16-17H,4-6,12-15,18-19H2,1-3H3,(H,26,29)