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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C13H22N6O4S MolecularWeight: 358.41658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H22N6O4S/c1-18(2)13-16-10(15-12(14)17-13)8-23-11(20)9-4-6-19(7-5-9)24(3,21)22/h9H,4-8H2,1-3H3,(H2,14,15,16,17)