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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-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 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O4S/c23-21-25-19(26-22(27-21)24-16-9-3-1-4-10-16)15-32-20(29)18-13-7-8-14-28(18)33(30,31)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H3,23,24,25,26,27)