5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3,17-bis(piperidin-1-ylsulfonyl)-8,21,23,24-tetrahydro-7H-corrin

Systemtic Name: 5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3,17-bis(piperidin-1-ylsulfonyl)-8,21,23,24-tetrahydro-7H-corrin Openeye Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-3,17-bis(1-piperidylsulfonyl)-8,21,23,24-tetrahydro-7H-corrin CAS Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-3,17-bis(1-piperidinylsulfonyl)-8,21,23,24-tetrahydro-7H-corrin IUPAC Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-3,17-bis(piperidin-1-ylsulfonyl)-8,21,23,24-tetrahydro-7H-corrin Traditional Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-3,17-bis(piperidinosulfonyl)-8,21,23,24-tetrahydro-7H-corrin Formula: C47H31F15N6O4S2 MolecularWeight: 1092.892888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C3C(=C4CCC(=N4)C(=C5C=CC(=C(C6=C(C=C(N6)C(=C2)N3)S(=O)(=O)N7CCCCC7)C8=C(C(=C(C(=C8F)F)F)F)F)N5)C9=C(C(=C(C(=C9F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C3C(=C4CCC(=N4)C(=C5C=CC(=C(C6=C(C=C(N6)C(=C2)N3)S(=O)(=O)N7CCCCC7)C8=C(C(=C(C(=C8F)F)F)F)F)N5)C9=C(C(=C(C(=C9F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C47H31F15N6O4S2/c48-31-28(32(49)38(55)43(60)37(31)54)25-17-7-9-19(63-17)26(29-33(50)39(56)44(61)40(57)34(29)51)46-23(73(69,70)67-11-3-1-4-12-67)15-21(65-46)22-16-24(74(71,72)68-13-5-2-6-14-68)47(66-22)27(20-10-8-18(25)64-20)30-35(52)41(58)45(62)42(59)36(30)53/h7,9,15-16,63,65-66H,1-6,8,10-14H2