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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide Traditional Name: 3-[(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(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OCC

Isomeric SMILES

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

InChI

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