3,4-bis(chloranyl)-N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: 3,4-bis(chloranyl)-N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]benzenesulfonamide Openeye Name: 3,4-dichloro-N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide CAS Name: 3,4-dichloro-N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 3,4-dichloro-N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3,4-dichloro-N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]benzenesulfonamide Formula: C22H21Cl2N5O3S MolecularWeight: 506.40484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N5O3S/c23-19-7-6-18(14-20(19)24)33(31,32)27-15-16-2-4-17(5-3-16)21(30)28-10-12-29(13-11-28)22-25-8-1-9-26-22/h1-9,14,27H,10-13,15H2