6,9-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1-oxa-3,6,9-triazacycloundecan-2-one

Systemtic Name: 6,9-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1-oxa-3,6,9-triazacycloundecan-2-one Openeye Name: 3-benzyl-6,9-bis(p-tolylsulfonyl)-1-oxa-3,6,9-triazacycloundecan-2-one CAS Name: 6,9-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1-oxa-3,6,9-triazacycloundecan-2-one IUPAC Name: 3-benzyl-6,9-bis-(4-methylphenyl)sulfonyl-1-oxa-3,6,9-triazacycloundecan-2-one Traditional Name: 3-benzyl-6,9-ditosyl-1-oxa-3,6,9-triazacycloundecan-2-one Formula: C28H33N3O6S2 MolecularWeight: 571.70812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCOC(=O)N(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCOC(=O)N(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H33N3O6S2/c1-23-8-12-26(13-9-23)38(33,34)30-17-16-29(22-25-6-4-3-5-7-25)28(32)37-21-20-31(19-18-30)39(35,36)27-14-10-24(2)11-15-27/h3-15H,16-22H2,1-2H3