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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C17H21FN6O4S MolecularWeight: 424.449843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN6O4S/c1-29(26,27)24-8-6-11(7-9-24)15(25)28-10-14-21-16(19)23-17(22-14)20-13-4-2-12(18)3-5-13/h2-5,11H,6-10H2,1H3,(H3,19,20,21,22,23)