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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-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-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H23N7O4S/c22-20-25-18(26-21(27-20)24-16-5-2-1-3-6-16)14-32-19(29)15-8-11-28(12-9-15)33(30,31)17-7-4-10-23-13-17/h1-7,10,13,15H,8-9,11-12,14H2,(H3,22,24,25,26,27)