1-butyl-3,5-bis-(4-methylphenyl)sulfonyl-1,3,5-triazinan-2-one

Systemtic Name: 1-butyl-3,5-bis-(4-methylphenyl)sulfonyl-1,3,5-triazinan-2-one Openeye Name: 1-butyl-3,5-bis(p-tolylsulfonyl)-1,3,5-triazinan-2-one CAS Name: 1-butyl-3,5-bis-(4-methylphenyl)sulfonyl-1,3,5-triazinan-2-one IUPAC Name: 1-butyl-3,5-bis-(4-methylphenyl)sulfonyl-1,3,5-triazinan-2-one Traditional Name: 1-butyl-3,5-ditosyl-1,3,5-triazinan-2-one Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CN(CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1CN(CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27N3O5S2/c1-4-5-14-22-15-23(30(26,27)19-10-6-17(2)7-11-19)16-24(21(22)25)31(28,29)20-12-8-18(3)9-13-20/h6-13H,4-5,14-16H2,1-3H3