6,10-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1-oxa-3,6,10-triazacyclododecan-2-one

Systemtic Name: 6,10-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1-oxa-3,6,10-triazacyclododecan-2-one Openeye Name: 3-benzyl-6,10-bis(p-tolylsulfonyl)-1-oxa-3,6,10-triazacyclododecan-2-one CAS Name: 6,10-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1-oxa-3,6,10-triazacyclododecan-2-one IUPAC Name: 3-benzyl-6,10-bis-(4-methylphenyl)sulfonyl-1-oxa-3,6,10-triazacyclododecan-2-one Traditional Name: 3-benzyl-6,10-ditosyl-1-oxa-3,6,10-triazacyclododecan-2-one Formula: C29H35N3O6S2 MolecularWeight: 585.7347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(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)N2CCCN(CCOC(=O)N(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H35N3O6S2/c1-24-9-13-27(14-10-24)39(34,35)31-17-6-18-32(40(36,37)28-15-11-25(2)12-16-28)21-22-38-29(33)30(19-20-31)23-26-7-4-3-5-8-26/h3-5,7-16H,6,17-23H2,1-2H3