1-[1,5-bis-(4-methylphenyl)sulfonyl-1,3,5-triazepan-3-yl]ethanone

Systemtic Name: 1-[1,5-bis-(4-methylphenyl)sulfonyl-1,3,5-triazepan-3-yl]ethanone Openeye Name: 1-[1,5-bis(p-tolylsulfonyl)-1,3,5-triazepan-3-yl]ethanone CAS Name: 1-[1,5-bis-(4-methylphenyl)sulfonyl-1,3,5-triazepan-3-yl]ethanone IUPAC Name: 1-[1,5-bis-(4-methylphenyl)sulfonyl-1,3,5-triazepan-3-yl]ethanone Traditional Name: 1-(1,5-ditosyl-1,3,5-triazepan-3-yl)ethanone Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CN(C2)C(=O)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CN(C2)C(=O)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3O5S2/c1-16-4-8-19(9-5-16)29(25,26)22-12-13-23(15-21(14-22)18(3)24)30(27,28)20-10-6-17(2)7-11-20/h4-11H,12-15H2,1-3H3