2-chloranyl-N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-(3-pyridylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 2-chloro-N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 2-chloro-N-(3-pyridylmethyl)-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H21ClN6O3S MolecularWeight: 472.94784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H21ClN6O3S/c22-18-5-4-17(13-19(18)32(30,31)26-15-16-3-1-6-23-14-16)20(29)27-9-11-28(12-10-27)21-24-7-2-8-25-21/h1-8,13-14,26H,9-12,15H2