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phenylcarbonyl 4-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylate

phenylcarbonyl 4-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylate

Systemtic Name:phenylcarbonyl 4-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylate
Openeye Name:benzoyl 4-(p-tolylsulfonyl)-1,4,7-triazonane-1-carboxylate
CAS Name:4-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylic acid benzoyl ester
IUPAC Name:benzoyl 4-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1-carboxylate
Traditional Name:4-tosyl-1,4,7-triazonane-1-carboxylic acid benzoyl ester
Formula: C21H25N3O5S
MolecularWeight: 431.5053
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC2)C(=O)OC(=O)C3=CC=CC=C3


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC2)C(=O)OC(=O)C3=CC=CC=C3


InChI

InChI=1S/C21H25N3O5S/c1-17-7-9-19(10-8-17)30(27,28)24-14-12-22-11-13-23(15-16-24)21(26)29-20(25)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3


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