10,13-bis-(4-methylphenyl)sulfonyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane

Systemtic Name: 10,13-bis-(4-methylphenyl)sulfonyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane Openeye Name: 10,13-bis(p-tolylsulfonyl)-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane CAS Name: 10,13-bis-(4-methylphenyl)sulfonyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane IUPAC Name: 10,13-bis-(4-methylphenyl)sulfonyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane Traditional Name: 10,13-ditosyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane Formula: C26H40N4O6S2 MolecularWeight: 568.749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCOCCOCCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCOCCOCCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H40N4O6S2/c1-23-3-7-25(8-4-23)37(31,32)29-15-11-27-13-19-35-21-22-36-20-14-28-12-16-30(18-17-29)38(33,34)26-9-5-24(2)6-10-26/h3-10,27-28H,11-22H2,1-2H3