9-butan-2-yl-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

Systemtic Name: 9-butan-2-yl-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Openeye Name: 3-methylene-1,5-bis(p-tolylsulfonyl)-9-sec-butyl-1,5,9-triazacyclododecane CAS Name: 9-butan-2-yl-3-methylene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane IUPAC Name: 9-butan-2-yl-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Traditional Name: 3-methylene-9-sec-butyl-1,5-ditosyl-1,5,9-triazacyclododecane Formula: C28H41N3O4S2 MolecularWeight: 547.77284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)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

CCC(C)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/C28H41N3O4S2/c1-6-26(5)29-17-7-19-30(36(32,33)27-13-9-23(2)10-14-27)21-25(4)22-31(20-8-18-29)37(34,35)28-15-11-24(3)12-16-28/h9-16,26H,4,6-8,17-22H2,1-3,5H3