[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C20H28N6O4S MolecularWeight: 448.53912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N6O4S/c1-25(2)20-23-17(22-19(21)24-20)14-30-18(27)11-8-15-6-9-16(10-7-15)31(28,29)26-12-4-3-5-13-26/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H2,21,22,23,24)