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

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C18H15ClN6O6S MolecularWeight: 478.8663

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN6O6S/c1-32(29,30)14-7-2-10(8-13(14)25(27)28)16(26)31-9-15-22-17(20)24-18(23-15)21-12-5-3-11(19)4-6-12/h2-8H,9H2,1H3,(H3,20,21,22,23,24)