5-tert-butyl-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 5-tert-butyl-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 5-tert-butyl-2-methyl-N-[3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 5-tert-butyl-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 5-tert-butyl-2-methyl-N-[3-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C26H31N5O3S/c1-19-9-10-21(26(2,3)4)18-23(19)35(33,34)29-22-8-5-7-20(17-22)24(32)30-13-15-31(16-14-30)25-27-11-6-12-28-25/h5-12,17-18,29H,13-16H2,1-4H3