[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C20H20ClN5O4S MolecularWeight: 461.9219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H20ClN5O4S/c1-3-12-6-4-5-7-16(12)23-20-25-17(24-19(22)26-20)11-30-18(27)14-10-13(31(2,28)29)8-9-15(14)21/h4-10H,3,11H2,1-2H3,(H3,22,23,24,25,26)