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

Systemtic Name: 3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-9-propyl-1,5,9-triazacyclododecane Openeye Name: 3-methylene-9-propyl-1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane CAS Name: 3-methylene-1,5-bis-(4-methylphenyl)sulfonyl-9-propyl-1,5,9-triazacyclododecane IUPAC Name: 3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-9-propyl-1,5,9-triazacyclododecane Traditional Name: 3-methylene-9-propyl-1,5-ditosyl-1,5,9-triazacyclododecane Formula: C27H39N3O4S2 MolecularWeight: 533.74626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(CC(=C)CN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1CCCN(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/C27H39N3O4S2/c1-5-16-28-17-6-19-29(35(31,32)26-12-8-23(2)9-13-26)21-25(4)22-30(20-7-18-28)36(33,34)27-14-10-24(3)11-15-27/h8-15H,4-7,16-22H2,1-3H3