dimethyl 3,4-bis[1-(phenylsulfonyl)indol-3-yl]-1H-pyrrole-2,5-dicarboxylate

Systemtic Name: dimethyl 3,4-bis[1-(phenylsulfonyl)indol-3-yl]-1H-pyrrole-2,5-dicarboxylate Openeye Name: dimethyl 3,4-bis[1-(benzenesulfonyl)indol-3-yl]-1H-pyrrole-2,5-dicarboxylate CAS Name: 3,4-bis[1-(benzenesulfonyl)-3-indolyl]-1H-pyrrole-2,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,4-bis[1-(benzenesulfonyl)indol-3-yl]-1H-pyrrole-2,5-dicarboxylate Traditional Name: 3,4-bis(1-besylindol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid dimethyl ester Formula: C36H27N3O8S2 MolecularWeight: 693.74488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(N1)C(=O)OC)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7

Isomeric SMILES

COC(=O)C1=C(C(=C(N1)C(=O)OC)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7

InChI

InChI=1S/C36H27N3O8S2/c1-46-35(40)33-31(27-21-38(29-19-11-9-17-25(27)29)48(42,43)23-13-5-3-6-14-23)32(34(37-33)36(41)47-2)28-22-39(30-20-12-10-18-26(28)30)49(44,45)24-15-7-4-8-16-24/h3-22,37H,1-2H3