3-bromanyl-1-methyl-4-[5-phenylmethoxy-1-(phenylsulfonyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-bromanyl-1-methyl-4-[5-phenylmethoxy-1-(phenylsulfonyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[1-(benzenesulfonyl)-5-benzyloxy-indol-3-yl]-4-bromo-1-methyl-pyrrole-2,5-dione CAS Name: 3-[1-(benzenesulfonyl)-5-phenylmethoxy-3-indolyl]-4-bromo-1-methylpyrrole-2,5-dione IUPAC Name: 3-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-4-bromo-1-methylpyrrole-2,5-dione Traditional Name: 3-(5-benzoxy-1-besyl-indol-3-yl)-4-bromo-1-methyl-3-pyrroline-2,5-quinone Formula: C26H19BrN2O5S MolecularWeight: 551.40846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C1=O)Br)C2=CN(C3=C2C=C(C=C3)OCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C(=C(C1=O)Br)C2=CN(C3=C2C=C(C=C3)OCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O5S/c1-28-25(30)23(24(27)26(28)31)21-15-29(35(32,33)19-10-6-3-7-11-19)22-13-12-18(14-20(21)22)34-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3