4-bromanyl-N-cyclopropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C18H20BrN5O3S MolecularWeight: 466.3521

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20BrN5O3S/c19-16-5-4-14(28(26,27)22-13-2-3-13)12-15(16)17(25)23-8-10-24(11-9-23)18-20-6-1-7-21-18/h1,4-7,12-13,22H,2-3,8-11H2