2-[2-[5-tert-butyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[5-tert-butyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[2-[5-tert-butyl-1-(p-tolylsulfonyl)indol-3-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[2-[5-tert-butyl-1-(4-methylphenyl)sulfonyl-3-indolyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[2-[5-tert-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[2-(5-tert-butyl-1-tosyl-indol-3-yl)propyl]isoindoline-1,3-quinone Formula: C30H30N2O4S MolecularWeight: 514.6352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C(C)(C)C)C(C)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C(C)(C)C)C(C)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C30H30N2O4S/c1-19-10-13-22(14-11-19)37(35,36)32-18-26(25-16-21(30(3,4)5)12-15-27(25)32)20(2)17-31-28(33)23-8-6-7-9-24(23)29(31)34/h6-16,18,20H,17H2,1-5H3