N-[4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide

Systemtic Name: N-[4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: N-[4-[[4-methyl-6-(1-piperidyl)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide CAS Name: N-[4-[[4-methyl-6-(1-piperidinyl)-2-pyrimidinyl]amino]phenyl]benzenesulfonamide IUPAC Name: N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide Traditional Name: N-[4-[(4-methyl-6-piperidino-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N4CCCCC4

InChI

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