[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C11H18N6O4S MolecularWeight: 330.36342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C11H18N6O4S/c1-22(19,20)17-4-2-7(3-5-17)9(18)21-6-8-14-10(12)16-11(13)15-8/h7H,2-6H2,1H3,(H4,12,13,14,15,16)