[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(7-phenylmethoxy-1H-indol-3-yl)propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(7-phenylmethoxy-1H-indol-3-yl)propyl] 4-methylbenzenesulfonate Openeye Name: [3-(7-benzyloxy-1H-indol-3-yl)-2-(1,3-dioxoisoindolin-2-yl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1,3-dioxo-2-isoindolyl)-3-(7-phenylmethoxy-1H-indol-3-yl)propyl] ester IUPAC Name: [2-(1,3-dioxoisoindol-2-yl)-3-(7-phenylmethoxy-1H-indol-3-yl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(7-benzoxy-1H-indol-3-yl)-2-phthalimido-propyl] ester Formula: C33H28N2O6S MolecularWeight: 580.65022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CNC3=C2C=CC=C3OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CNC3=C2C=CC=C3OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C33H28N2O6S/c1-22-14-16-26(17-15-22)42(38,39)41-21-25(35-32(36)28-10-5-6-11-29(28)33(35)37)18-24-19-34-31-27(24)12-7-13-30(31)40-20-23-8-3-2-4-9-23/h2-17,19,25,34H,18,20-21H2,1H3