4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide

Systemtic Name: 4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3-isopropoxyphenyl)methyl]benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-(3-isopropoxybenzyl)benzamide Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O4S/c1-22(2)35-26-8-6-7-24(19-26)20-29-28(32)25-13-11-23(12-14-25)21-30-15-17-31(18-16-30)36(33,34)27-9-4-3-5-10-27/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,29,32)