(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic 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 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N6O4S/c1-14-7-9-16(10-8-14)31(28,29)22-12-11-18(27)30-13-17-24-19(21)26-20(25-17)23-15-5-3-2-4-6-15/h2-10,22H,11-13H2,1H3,(H3,21,23,24,25,26)