N-cyclohexyl-N-methyl-4-[3-(pyrimidin-2-ylamino)propanoyl]piperazine-1-sulfonamide

Systemtic Name: N-cyclohexyl-N-methyl-4-[3-(pyrimidin-2-ylamino)propanoyl]piperazine-1-sulfonamide Openeye Name: N-cyclohexyl-N-methyl-4-[3-(pyrimidin-2-ylamino)propanoyl]piperazine-1-sulfonamide CAS Name: N-cyclohexyl-N-methyl-4-[1-oxo-3-(2-pyrimidinylamino)propyl]-1-piperazinesulfonamide IUPAC Name: N-cyclohexyl-N-methyl-4-[3-(pyrimidin-2-ylamino)propanoyl]piperazine-1-sulfonamide Traditional Name: N-cyclohexyl-N-methyl-4-[3-(2-pyrimidylamino)propanoyl]piperazine-1-sulfonamide Formula: C18H30N6O3S MolecularWeight: 410.5342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=NC=CC=N3

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=NC=CC=N3

InChI

InChI=1S/C18H30N6O3S/c1-22(16-6-3-2-4-7-16)28(26,27)24-14-12-23(13-15-24)17(25)8-11-21-18-19-9-5-10-20-18/h5,9-10,16H,2-4,6-8,11-15H2,1H3,(H,19,20,21)