[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic 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-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC(=NC(=N2)N(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC(=NC(=N2)N(C)C)N

InChI

InChI=1S/C16H21N5O4S/c1-11-4-6-12(7-5-11)26(23,24)9-8-14(22)25-10-13-18-15(17)20-16(19-13)21(2)3/h4-7H,8-10H2,1-3H3,(H2,17,18,19,20)