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

Systemtic Name: 2-chloranyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: 2-chloro-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide CAS Name: 2-chloro-N-[4-[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]phenyl]benzenesulfonamide IUPAC Name: 2-chloro-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide Traditional Name: 2-chloro-N-[4-[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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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=C3Cl)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3Cl)N4CCCC4

InChI

InChI=1S/C21H22ClN5O2S/c1-15-14-20(27-12-4-5-13-27)25-21(23-15)24-16-8-10-17(11-9-16)26-30(28,29)19-7-3-2-6-18(19)22/h2-3,6-11,14,26H,4-5,12-13H2,1H3,(H,23,24,25)