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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-(3-pyridylmethyl)-4-[(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=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

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

InChI

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