(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene

Systemtic Name: (11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene Openeye Name: (11E)-1-(p-tolylsulfonyl)-1-azacyclohenicos-11-ene CAS Name: (11E)-1-(4-methylphenyl)sulfonyl-1-azacycloheneicos-11-ene IUPAC Name: (11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene Traditional Name: (11E)-1-tosyl-1-azacycloheneicos-11-ene Formula: C27H45NO2S MolecularWeight: 447.7167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCC=CCCCCCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCC/C=C/CCCCCCCCC2

InChI

InChI=1S/C27H45NO2S/c1-26-20-22-27(23-21-26)31(29,30)28-24-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25-28/h2-3,20-23H,4-19,24-25H2,1H3/b3-2+