[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C20H27N7O5S MolecularWeight: 477.53728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C20H27N7O5S/c21-19-23-17(24-20(22)25-19)13-32-18(28)15-12-14(33(29,30)27-6-2-1-3-7-27)4-5-16(15)26-8-10-31-11-9-26/h4-5,12H,1-3,6-11,13H2,(H4,21,22,23,24,25)