[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C23H26N6O5S MolecularWeight: 498.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H26N6O5S/c1-15-3-7-18(8-4-15)25-23-27-20(26-22(24)28-23)14-34-21(30)17-6-5-16(2)19(13-17)35(31,32)29-9-11-33-12-10-29/h3-8,13H,9-12,14H2,1-2H3,(H3,24,25,26,27,28)