1-[7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]ethanone

Systemtic Name: 1-[7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]ethanone Openeye Name: 1-[7-methylene-5,9-bis(p-tolylsulfonyl)-1,5,9-triazacyclododec-1-yl]ethanone CAS Name: 1-[7-methylene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]ethanone IUPAC Name: 1-[7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]ethanone Traditional Name: 1-(7-methylene-5,9-ditosyl-1,5,9-triazacyclododec-1-yl)ethanone Formula: C26H35N3O5S2 MolecularWeight: 533.7032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C

InChI

InChI=1S/C26H35N3O5S2/c1-21-7-11-25(12-8-21)35(31,32)28-17-5-15-27(24(4)30)16-6-18-29(20-23(3)19-28)36(33,34)26-13-9-22(2)10-14-26/h7-14H,3,5-6,15-20H2,1-2,4H3