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

Systemtic Name: 2-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[[3-[(4-esylpiperazino)methyl]benzoyl]amino]-N-(3-pyridylmethyl)benzamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4S/c1-2-37(35,36)32-15-13-31(14-16-32)20-21-7-5-9-23(17-21)26(33)30-25-11-4-3-10-24(25)27(34)29-19-22-8-6-12-28-18-22/h3-12,17-18H,2,13-16,19-20H2,1H3,(H,29,34)(H,30,33)