N-(3-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(3-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(3-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(3-chlorophenyl)-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(3-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(3-chlorophenyl)-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O3S/c22-17-5-2-6-18(15-17)25-31(29,30)19-7-1-4-16(14-19)20(28)26-10-12-27(13-11-26)21-23-8-3-9-24-21/h1-9,14-15,25H,10-13H2