propyl 7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane-1-carboxylate

Systemtic Name: propyl 7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane-1-carboxylate Openeye Name: propyl 7-methylene-5,9-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane-1-carboxylate CAS Name: 7-methylene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane-1-carboxylic acid propyl ester IUPAC Name: propyl 7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane-1-carboxylate Traditional Name: 7-methylene-5,9-ditosyl-1,5,9-triazacyclododecane-1-carboxylic acid propyl ester Formula: C28H39N3O6S2 MolecularWeight: 577.75576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N1CCCN(CC(=C)CN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC(=O)N1CCCN(CC(=C)CN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H39N3O6S2/c1-5-20-37-28(32)29-16-6-18-30(38(33,34)26-12-8-23(2)9-13-26)21-25(4)22-31(19-7-17-29)39(35,36)27-14-10-24(3)11-15-27/h8-15H,4-7,16-22H2,1-3H3