4-(4-methylphenyl)sulfonyl-10-octyl-1,7-dioxa-4,10-diazacyclododecane

Systemtic Name: 4-(4-methylphenyl)sulfonyl-10-octyl-1,7-dioxa-4,10-diazacyclododecane Openeye Name: 4-octyl-10-(p-tolylsulfonyl)-1,7-dioxa-4,10-diazacyclododecane CAS Name: 4-(4-methylphenyl)sulfonyl-10-octyl-1,7-dioxa-4,10-diazacyclododecane IUPAC Name: 4-(4-methylphenyl)sulfonyl-10-octyl-1,7-dioxa-4,10-diazacyclododecane Traditional Name: 4-octyl-10-tosyl-1,7-dioxa-4,10-diazacyclododecane Formula: C23H40N2O4S MolecularWeight: 440.6397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCOCCN(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCN1CCOCCN(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H40N2O4S/c1-3-4-5-6-7-8-13-24-14-18-28-20-16-25(17-21-29-19-15-24)30(26,27)23-11-9-22(2)10-12-23/h9-12H,3-8,13-21H2,1-2H3