2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[[3-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[[3-[(4-mesylpiperazino)methyl]benzoyl]amino]-N-(3-pyridylmethyl)benzamide Formula: C26H29N5O4S MolecularWeight: 507.60456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C26H29N5O4S/c1-36(34,35)31-14-12-30(13-15-31)19-20-6-4-8-22(16-20)25(32)29-24-10-3-2-9-23(24)26(33)28-18-21-7-5-11-27-17-21/h2-11,16-17H,12-15,18-19H2,1H3,(H,28,33)(H,29,32)