(phenylmethyl) 4-ethyl-7-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-7-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylate Openeye Name: benzyl 4-ethyl-7-(p-tolylsulfonyl)-1,4,7-triazonane-1-carboxylate CAS Name: 4-ethyl-7-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-7-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylate Traditional Name: 4-ethyl-7-tosyl-1,4,7-triazonane-1-carboxylic acid benzyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-3-24-13-15-25(23(27)30-19-21-7-5-4-6-8-21)16-18-26(17-14-24)31(28,29)22-11-9-20(2)10-12-22/h4-12H,3,13-19H2,1-2H3