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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (2S)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-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 (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-tosylpipecolinic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H26N6O4S MolecularWeight: 482.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C23H26N6O4S/c1-16-10-12-18(13-11-16)34(31,32)29-14-6-5-9-19(29)21(30)33-15-20-26-22(24)28-23(27-20)25-17-7-3-2-4-8-17/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H3,24,25,26,27,28)/t19-/m0/s1