N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]quinoline-8-sulfonamide CAS Name: N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinoline-8-sulfonamide Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H30N6O3S/c32-24(30-14-16-31(17-15-30)25-27-12-3-13-28-25)21-9-7-19(8-10-21)18-29-35(33,34)22-6-1-4-20-5-2-11-26-23(20)22/h1-6,11-13,19,21,29H,7-10,14-18H2