1-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane Openeye Name: 1-(p-tolylsulfonyl)-1,4,7,10,13-pentazacyclopentadecane CAS Name: 1-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane IUPAC Name: 1-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane Traditional Name: 1-tosyl-1,4,7,10,13-pentazacyclopentadecane Formula: C17H31N5O2S MolecularWeight: 369.52534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNCCNCCNCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNCCNCCNCC2

InChI

InChI=1S/C17H31N5O2S/c1-16-2-4-17(5-3-16)25(23,24)22-14-12-20-10-8-18-6-7-19-9-11-21-13-15-22/h2-5,18-21H,6-15H2,1H3