13,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione

Systemtic Name: 13,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione Openeye Name: 13,16-bis(p-tolylsulfonyl)-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione CAS Name: 13,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacycloheneicosane-11,18-dione IUPAC Name: 13,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione Traditional Name: 13,16-ditosyl-1,4,7-trioxa-10,13,16,19-tetrazacycloheneicosane-11,18-quinone Formula: C28H40N4O9S2 MolecularWeight: 640.7686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O9S2/c1-23-3-7-25(8-4-23)42(35,36)31-13-14-32(43(37,38)26-9-5-24(2)6-10-26)22-28(34)30-12-16-40-18-20-41-19-17-39-15-11-29-27(33)21-31/h3-10H,11-22H2,1-2H3,(H,29,33)(H,30,34)