N-(2-methylcyclohexyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-benzenesulfonamide

Systemtic Name: N-(2-methylcyclohexyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-benzenesulfonamide Openeye Name: N-(2-methylcyclohexyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-benzenesulfonamide CAS Name: N-(2-methylcyclohexyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-(2-methylcyclohexyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzenesulfonamide Traditional Name: N-(2-methylcyclohexyl)-4-[4-(2-pyrimidyl)piperazino]sulfonyl-benzenesulfonamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1CCCCC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H29N5O4S2/c1-17-5-2-3-6-20(17)24-31(27,28)18-7-9-19(10-8-18)32(29,30)26-15-13-25(14-16-26)21-22-11-4-12-23-21/h4,7-12,17,20,24H,2-3,5-6,13-16H2,1H3