1-[3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-5,9-diaza-1-azoniacyclododec-1-yl]ethanone

Systemtic Name: 1-[3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-5,9-diaza-1-azoniacyclododec-1-yl]ethanone Openeye Name: 1-[3-methylene-1,5-bis(p-tolylsulfonyl)-5,9-diaza-1-azoniacyclododec-1-yl]ethanone CAS Name: 1-[3-methylene-1,5-bis-(4-methylphenyl)sulfonyl-5,9-diaza-1-azoniacyclododec-1-yl]ethanone IUPAC Name: 1-[3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-5,9-diaza-1-azoniacyclododec-1-yl]ethanone Traditional Name: 1-(3-methylene-1,5-ditosyl-5,9-diaza-1-azoniacyclododec-1-yl)ethanone Formula: C26H36N3O5S2+ MolecularWeight: 534.71114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCC[N+](CC(=C)C2)(C(=O)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCC[N+](CC(=C)C2)(C(=O)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H36N3O5S2/c1-21-7-11-25(12-8-21)35(31,32)28-17-5-15-27-16-6-18-29(24(4)30,20-23(3)19-28)36(33,34)26-13-9-22(2)10-14-26/h7-14,27H,3,5-6,15-20H2,1-2,4H3/q+1