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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-veratryl-benzamide Formula: C27H31N3O5S MolecularWeight: 509.61714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H31N3O5S/c1-34-25-13-10-22(18-26(25)35-2)19-28-27(31)23-11-8-21(9-12-23)20-29-14-16-30(17-15-29)36(32,33)24-6-4-3-5-7-24/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)