4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-(2,6-dimethyl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(2,6-dimethylpyrimidin-4-yl)piperazino]sulfonylbenzenesulfonamide Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H21N5O4S2/c1-12-11-16(19-13(2)18-12)20-7-9-21(10-8-20)27(24,25)15-5-3-14(4-6-15)26(17,22)23/h3-6,11H,7-10H2,1-2H3,(H2,17,22,23)