N-[[3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide

Systemtic Name: N-[[3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide Openeye Name: N-[[3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide CAS Name: N-[[3-methyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]benzenesulfonamide IUPAC Name: N-[[3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide Traditional Name: N-[3-methyl-4-[4-(2-pyrimidyl)piperazino]benzyl]benzenesulfonamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-18-16-19(17-25-30(28,29)20-6-3-2-4-7-20)8-9-21(18)26-12-14-27(15-13-26)22-23-10-5-11-24-22/h2-11,16,25H,12-15,17H2,1H3