[4,10-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododec-1-yl]-phenyl-methanone

Systemtic Name: [4,10-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododec-1-yl]-phenyl-methanone Openeye Name: [4,10-bis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododec-1-yl]-phenyl-methanone CAS Name: [4,10-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododec-1-yl]-phenylmethanone IUPAC Name: [4,10-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododec-1-yl]-phenylmethanone Traditional Name: (4,10-ditosyl-1,4,7,10-tetrazacyclododec-1-yl)-phenyl-methanone Formula: C29H36N4O5S2 MolecularWeight: 584.74994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCN(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCN(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H36N4O5S2/c1-24-8-12-27(13-9-24)39(35,36)32-18-16-30-17-19-33(40(37,38)28-14-10-25(2)11-15-28)23-21-31(20-22-32)29(34)26-6-4-3-5-7-26/h3-15,30H,16-23H2,1-2H3