3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-(3-pyridylmethyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H28N4O3S/c1-20-7-9-24(10-8-20)33(31,32)29-14-12-28(13-15-29)19-21-4-2-6-23(16-21)25(30)27-18-22-5-3-11-26-17-22/h2-11,16-17H,12-15,18-19H2,1H3,(H,27,30)