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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-(3,4-diethoxybenzyl)benzamide Formula: C29H35N3O5S MolecularWeight: 537.6703

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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)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OCC

InChI

InChI=1S/C29H35N3O5S/c1-3-36-27-15-12-24(20-28(27)37-4-2)21-30-29(33)25-13-10-23(11-14-25)22-31-16-18-32(19-17-31)38(34,35)26-8-6-5-7-9-26/h5-15,20H,3-4,16-19,21-22H2,1-2H3,(H,30,33)