4-tert-butyl-N-[5-chloranyl-2-[(2-oxidanylidene-4-piperazin-1-yl-pyrimidin-1-yl)methyl]phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[5-chloranyl-2-[(2-oxidanylidene-4-piperazin-1-yl-pyrimidin-1-yl)methyl]phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[5-chloro-2-[(2-oxo-4-piperazin-1-yl-pyrimidin-1-yl)methyl]phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[5-chloro-2-[[2-oxo-4-(1-piperazinyl)-1-pyrimidinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[5-chloro-2-[(2-oxo-4-piperazin-1-ylpyrimidin-1-yl)methyl]phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[5-chloro-2-[(2-keto-4-piperazino-pyrimidin-1-yl)methyl]phenyl]benzenesulfonamide Formula: C25H30ClN5O3S MolecularWeight: 516.0554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)CN3C=CC(=NC3=O)N4CCNCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)CN3C=CC(=NC3=O)N4CCNCC4

InChI

InChI=1S/C25H30ClN5O3S/c1-25(2,3)19-5-8-21(9-6-19)35(33,34)29-22-16-20(26)7-4-18(22)17-31-13-10-23(28-24(31)32)30-14-11-27-12-15-30/h4-10,13,16,27,29H,11-12,14-15,17H2,1-3H3