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

Systemtic Name: 3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3-isopropoxyphenyl)methyl]benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide Traditional Name: 3-[(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(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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