1-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-(p-tolylsulfonyl)-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-tosyl-1,4,8,11-tetrazacyclotetradecane Formula: C17H30N4O2S MolecularWeight: 354.5107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCNCCCNCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCNCCCNCC2

InChI

InChI=1S/C17H30N4O2S/c1-16-4-6-17(7-5-16)24(22,23)21-14-3-10-19-12-11-18-8-2-9-20-13-15-21/h4-7,18-20H,2-3,8-15H2,1H3