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

Systemtic Name: N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]naphthalene-2-sulfonamide Openeye Name: N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]naphthalene-2-sulfonamide CAS Name: N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-2-naphthalenesulfonamide IUPAC Name: N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]naphthalene-2-sulfonamide Traditional Name: N-[[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]cyclohexyl]methyl]naphthalene-2-sulfonamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC(CCC1CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H31N5O3S/c32-25(30-14-16-31(17-15-30)26-27-12-3-13-28-26)22-8-6-20(7-9-22)19-29-35(33,34)24-11-10-21-4-1-2-5-23(21)18-24/h1-5,10-13,18,20,22,29H,6-9,14-17,19H2