4-methyl-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane

Systemtic Name: 4-methyl-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane Openeye Name: 4-methyl-1,7-bis(p-tolylsulfonyl)-1,4,7-triazecane CAS Name: 4-methyl-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane IUPAC Name: 4-methyl-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane Traditional Name: 4-methyl-1,7-ditosyl-1,4,7-triazecane Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H31N3O4S2/c1-19-5-9-21(10-6-19)30(26,27)24-13-4-14-25(18-16-23(3)15-17-24)31(28,29)22-11-7-20(2)8-12-22/h5-12H,4,13-18H2,1-3H3