bis(phenylcarbonyl) 7-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1,4-dicarboxylate

Systemtic Name: bis(phenylcarbonyl) 7-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1,4-dicarboxylate Openeye Name: dibenzoyl 7-(p-tolylsulfonyl)-1,4,7-triazonane-1,4-dicarboxylate CAS Name: 7-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1,4-dicarboxylic acid dibenzoyl ester IUPAC Name: dibenzoyl 7-(4-methylphenyl)sulfonyl-1,4,7-triazonane-1,4-dicarboxylate Traditional Name: 7-tosyl-1,4,7-triazonane-1,4-dicarboxylic acid dibenzoyl ester Formula: C29H29N3O8S MolecularWeight: 579.62086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)C(=O)OC(=O)C3=CC=CC=C3)C(=O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)C(=O)OC(=O)C3=CC=CC=C3)C(=O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O8S/c1-22-12-14-25(15-13-22)41(37,38)32-20-18-30(28(35)39-26(33)23-8-4-2-5-9-23)16-17-31(19-21-32)29(36)40-27(34)24-10-6-3-7-11-24/h2-15H,16-21H2,1H3