(9Z)-1,5-bis-(4-methylphenyl)sulfonyl-9-oxidanidyl-1,5-diaza-9-azoniacyclododec-9-ene

Systemtic Name: (9Z)-1,5-bis-(4-methylphenyl)sulfonyl-9-oxidanidyl-1,5-diaza-9-azoniacyclododec-9-ene Openeye Name: (1Z)-1-oxido-5,9-bis(p-tolylsulfonyl)-5,9-diaza-1-azoniacyclododec-12-ene CAS Name: (9Z)-1,5-bis-(4-methylphenyl)sulfonyl-9-oxido-1,5-diaza-9-azoniacyclododec-9-ene IUPAC Name: (9Z)-1,5-bis-(4-methylphenyl)sulfonyl-9-oxido-1,5-diaza-9-azoniacyclododec-9-ene Traditional Name: (1Z)-1-oxido-5,9-ditosyl-5,9-diaza-1-azoniacyclododec-12-ene Formula: C23H31N3O5S2 MolecularWeight: 493.63934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCC=[N+](CCC2)[O-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC/C=[N+](/CCC2)\[O-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H31N3O5S2/c1-20-6-10-22(11-7-20)32(28,29)25-16-3-14-24(27)15-4-17-26(19-5-18-25)33(30,31)23-12-8-21(2)9-13-23/h6-14H,3-5,15-19H2,1-2H3/b24-14-