benzenesulfonic acid; 1-(2,6-diethylphenyl)-4-(ethylamino)-1,3,5-triazin-2-one

Systemtic Name: benzenesulfonic acid; 1-(2,6-diethylphenyl)-4-(ethylamino)-1,3,5-triazin-2-one Openeye Name: benzenesulfonic acid; 1-(2,6-diethylphenyl)-4-(ethylamino)-1,3,5-triazin-2-one CAS Name: benzenesulfonic acid; 1-(2,6-diethylphenyl)-4-(ethylamino)-1,3,5-triazin-2-one IUPAC Name: benzenesulfonic acid; 1-(2,6-diethylphenyl)-4-(ethylamino)-1,3,5-triazin-2-one Traditional Name: besylic acid; 1-(2,6-diethylphenyl)-4-(ethylamino)-s-triazin-2-one Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C=NC(=NC2=O)NCC.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C=NC(=NC2=O)NCC.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H20N4O.C6H6O3S/c1-4-11-8-7-9-12(5-2)13(11)19-10-17-14(16-6-3)18-15(19)20;7-10(8,9)6-4-2-1-3-5-6/h7-10H,4-6H2,1-3H3,(H,16,18,20);1-5H,(H,7,8,9)