8-(4-methylphenyl)sulfonyl-1,4-dithia-8,11-diazacyclotetradecane

Systemtic Name: 8-(4-methylphenyl)sulfonyl-1,4-dithia-8,11-diazacyclotetradecane Openeye Name: 8-(p-tolylsulfonyl)-1,4-dithia-8,11-diazacyclotetradecane CAS Name: 8-(4-methylphenyl)sulfonyl-1,4-dithia-8,11-diazacyclotetradecane IUPAC Name: 8-(4-methylphenyl)sulfonyl-1,4-dithia-8,11-diazacyclotetradecane Traditional Name: 8-tosyl-1,4-dithia-8,11-diazacyclotetradecane Formula: C17H28N2O2S3 MolecularWeight: 388.61142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCCSCCCNCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCCSCCCNCC2

InChI

InChI=1S/C17H28N2O2S3/c1-16-4-6-17(7-5-16)24(20,21)19-10-3-13-23-15-14-22-12-2-8-18-9-11-19/h4-7,18H,2-3,8-15H2,1H3