(5E,10E)-3,8,13-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,8,13-triazabicyclo[13.4.0]nonadeca-1(19),5,10,15,17-pentaene

Systemtic Name: (5E,10E)-3,8,13-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,8,13-triazabicyclo[13.4.0]nonadeca-1(19),5,10,15,17-pentaene Openeye Name: (5E,10E)-3,8,13-tris[(2,4,6-triisopropylphenyl)sulfonyl]-3,8,13-triazabicyclo[13.4.0]nonadeca-1(19),5,10,15,17-pentaene CAS Name: (5E,10E)-3,8,13-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,8,13-triazabicyclo[13.4.0]nonadeca-1(19),5,10,15,17-pentaene IUPAC Name: (5E,10E)-3,8,13-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,8,13-triazabicyclo[13.4.0]nonadeca-1(19),5,10,15,17-pentaene Traditional Name: (5E,10E)-3,8,13-tris[(2,4,6-triisopropylphenyl)sulfonyl]-3,8,13-triazabicyclo[13.4.0]nonadeca-1(19),5,10,15,17-pentaene Formula: C61H89N3O6S3 MolecularWeight: 1056.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2CC=CCN(CC3=CC=CC=C3CN(CC=CC2)S(=O)(=O)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C)S(=O)(=O)C5=C(C=C(C=C5C(C)C)C(C)C)C(C)C)C(C)C

Isomeric SMILES

CC(C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C/C=C/CN(CC3=CC=CC=C3CN(C/C=C/C2)S(=O)(=O)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C)S(=O)(=O)C5=C(C=C(C=C5C(C)C)C(C)C)C(C)C)C(C)C)C

InChI

InChI=1S/C61H89N3O6S3/c1-39(2)50-31-53(42(7)8)59(54(32-50)43(9)10)71(65,66)62-27-21-23-29-63(72(67,68)60-55(44(11)12)33-51(40(3)4)34-56(60)45(13)14)37-48-25-19-20-26-49(48)38-64(30-24-22-28-62)73(69,70)61-57(46(15)16)35-52(41(5)6)36-58(61)47(17)18/h19-26,31-36,39-47H,27-30,37-38H2,1-18H3/b23-21+,24-22+