3-[[4-(4-methylsulfonylpiperazin-1-yl)carbonylcyclohexyl]methyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[4-(4-methylsulfonylpiperazin-1-yl)carbonylcyclohexyl]methyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-(4-methylsulfonylpiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione CAS Name: 3-[[4-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-(4-methylsulfonylpiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[[4-(4-mesylpiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-quinone Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H28N4O5S/c1-31(29,30)24-12-10-23(11-13-24)19(26)16-8-6-15(7-9-16)14-25-20(27)17-4-2-3-5-18(17)22-21(25)28/h2-5,15-16H,6-14H2,1H3,(H,22,28)