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

Systemtic Name: N-(2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H23N5O4S/c1-31-20-6-3-2-5-19(20)25-32(29,30)18-9-7-17(8-10-18)21(28)26-13-15-27(16-14-26)22-23-11-4-12-24-22/h2-12,25H,13-16H2,1H3