4-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane-2,12-dione

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane-2,12-dione Openeye Name: 4-(p-tolylsulfonyl)-1,4,7,10,13-pentazacyclopentadecane-2,12-dione CAS Name: 4-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane-2,12-dione IUPAC Name: 4-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane-2,12-dione Traditional Name: 4-tosyl-1,4,7,10,13-pentazacyclopentadecane-2,12-quinone Formula: C17H27N5O4S MolecularWeight: 397.49238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNCC(=O)NCCNC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNCC(=O)NCCNC(=O)C2

InChI

InChI=1S/C17H27N5O4S/c1-14-2-4-15(5-3-14)27(25,26)22-11-10-18-6-7-19-12-16(23)20-8-9-21-17(24)13-22/h2-5,18-19H,6-13H2,1H3,(H,20,23)(H,21,24)