4-chloranyl-N-(3,4-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(3,4-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 4-chloro-N-(3,4-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 4-chloro-N-(3,4-dimethylphenyl)-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(3,4-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-chloro-N-(3,4-dimethylphenyl)-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C23H24ClN5O3S MolecularWeight: 485.98636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C23H24ClN5O3S/c1-16-4-5-18(14-17(16)2)27-33(31,32)19-6-7-21(24)20(15-19)22(30)28-10-12-29(13-11-28)23-25-8-3-9-26-23/h3-9,14-15,27H,10-13H2,1-2H3