16-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione

Systemtic Name: 16-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione Openeye Name: 16-(p-tolylsulfonyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione CAS Name: 16-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione IUPAC Name: 16-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione Traditional Name: 16-tosyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-quinone Formula: C19H29N3O7S MolecularWeight: 443.51446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC(=O)NCCOCCNC(=O)COCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC(=O)NCCOCCNC(=O)COCC2

InChI

InChI=1S/C19H29N3O7S/c1-16-2-4-17(5-3-16)30(25,26)22-8-12-28-14-18(23)20-6-10-27-11-7-21-19(24)15-29-13-9-22/h2-5H,6-15H2,1H3,(H,20,23)(H,21,24)