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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C17H22N6O4S/c1-28(25,26)23-9-7-12(8-10-23)15(24)27-11-14-20-16(18)22-17(21-14)19-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H3,18,19,20,21,22)