2-[6-[2,3,6-tris(oxidanyl)-4-phenylmethoxy-5-[1-[1-(phenylsulfonyl)indol-3-yl]ethoxy]cyclohexyl]oxyhexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[2,3,6-tris(oxidanyl)-4-phenylmethoxy-5-[1-[1-(phenylsulfonyl)indol-3-yl]ethoxy]cyclohexyl]oxyhexyl]isoindole-1,3-dione Openeye Name: 2-[6-[3-[1-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-4-benzyloxy-2,5,6-trihydroxy-cyclohexoxy]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[3-[1-[1-(benzenesulfonyl)-3-indolyl]ethoxy]-2,5,6-trihydroxy-4-phenylmethoxycyclohexyl]oxyhexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[3-[1-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-2,5,6-trihydroxy-4-phenylmethoxycyclohexyl]oxyhexyl]isoindole-1,3-dione Traditional Name: 2-[6-[4-benzoxy-3-[1-(1-besylindol-3-yl)ethoxy]-2,5,6-trihydroxy-cyclohexoxy]hexyl]isoindoline-1,3-quinone Formula: C43H46N2O10S MolecularWeight: 782.89774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)OC4C(C(C(C(C4OCC5=CC=CC=C5)O)O)OCCCCCCN6C(=O)C7=CC=CC=C7C6=O)O

Isomeric SMILES

CC(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)OC4C(C(C(C(C4OCC5=CC=CC=C5)O)O)OCCCCCCN6C(=O)C7=CC=CC=C7C6=O)O

InChI

InChI=1S/C43H46N2O10S/c1-28(34-26-45(35-23-13-12-20-31(34)35)56(51,52)30-18-8-5-9-19-30)55-41-38(48)39(36(46)37(47)40(41)54-27-29-16-6-4-7-17-29)53-25-15-3-2-14-24-44-42(49)32-21-10-11-22-33(32)43(44)50/h4-13,16-23,26,28,36-41,46-48H,2-3,14-15,24-25,27H2,1H3