3-methylidene-9-[(4-methylphenyl)methyl]-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

Systemtic Name: 3-methylidene-9-[(4-methylphenyl)methyl]-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Openeye Name: 3-methylene-9-(p-tolylmethyl)-1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane CAS Name: 3-methylene-9-[(4-methylphenyl)methyl]-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane IUPAC Name: 3-methylidene-9-[(4-methylphenyl)methyl]-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Traditional Name: 9-(4-methylbenzyl)-3-methylene-1,5-ditosyl-1,5,9-triazacyclododecane Formula: C32H41N3O4S2 MolecularWeight: 595.81564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC(=C)CN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC(=C)CN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C32H41N3O4S2/c1-26-7-13-30(14-8-26)25-33-19-5-21-34(40(36,37)31-15-9-27(2)10-16-31)23-29(4)24-35(22-6-20-33)41(38,39)32-17-11-28(3)12-18-32/h7-18H,4-6,19-25H2,1-3H3