10,13-bis-(4-methylphenyl)sulfonyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-8,15-dione

Systemtic Name: 10,13-bis-(4-methylphenyl)sulfonyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-8,15-dione Openeye Name: 10,13-bis(p-tolylsulfonyl)-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-8,15-dione CAS Name: 10,13-bis-(4-methylphenyl)sulfonyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-8,15-dione IUPAC Name: 10,13-bis-(4-methylphenyl)sulfonyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-8,15-dione Traditional Name: 10,13-ditosyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-8,15-quinone Formula: C26H36N4O8S2 MolecularWeight: 596.71604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(=O)NCCOCCOCCNC(=O)C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(=O)NCCOCCOCCNC(=O)C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H36N4O8S2/c1-21-3-7-23(8-4-21)39(33,34)29-13-14-30(40(35,36)24-9-5-22(2)6-10-24)20-26(32)28-12-16-38-18-17-37-15-11-27-25(31)19-29/h3-10H,11-20H2,1-2H3,(H,27,31)(H,28,32)