1-methyl-3,4-bis[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione

Systemtic Name: 1-methyl-3,4-bis[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione Openeye Name: 1-methyl-3,4-bis[1-(p-tolylsulfonyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 1-methyl-3,4-bis[1-(4-methylphenyl)sulfonyl-3-indolyl]pyrrole-2,5-dione IUPAC Name: 1-methyl-3,4-bis[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione Traditional Name: 1-methyl-3,4-bis(1-tosylindol-3-yl)-3-pyrroline-2,5-quinone Formula: C35H27N3O6S2 MolecularWeight: 649.73538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=C(C(=O)N(C4=O)C)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=C(C=C7)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=C(C(=O)N(C4=O)C)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=C(C=C7)C

InChI

InChI=1S/C35H27N3O6S2/c1-22-12-16-24(17-13-22)45(41,42)37-20-28(26-8-4-6-10-30(26)37)32-33(35(40)36(3)34(32)39)29-21-38(31-11-7-5-9-27(29)31)46(43,44)25-18-14-23(2)15-19-25/h4-21H,1-3H3