1-[(4-iodanylphenyl)methyl]-5-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]sulfonyl-indole-2,3-dione

Systemtic Name: 1-[(4-iodanylphenyl)methyl]-5-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]sulfonyl-indole-2,3-dione Openeye Name: 5-[(2S)-2-(benzyloxymethyl)pyrrolidin-1-yl]sulfonyl-1-[(4-iodanylphenyl)methyl]indoline-2,3-dione CAS Name: 1-[(4-iodanylphenyl)methyl]-5-[[(2S)-2-(phenylmethoxymethyl)-1-pyrrolidinyl]sulfonyl]indole-2,3-dione IUPAC Name: 1-[(4-iodanylphenyl)methyl]-5-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione Traditional Name: 5-[(2S)-2-(benzoxymethyl)pyrrolidino]sulfonyl-1-(4-iodanylbenzyl)isatin Formula: C27H25IN2O5S MolecularWeight: 612.468398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)I)COCC5=CC=CC=C5

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)[123I])COCC5=CC=CC=C5

InChI

InChI=1S/C27H25IN2O5S/c28-21-10-8-19(9-11-21)16-29-25-13-12-23(15-24(25)26(31)27(29)32)36(33,34)30-14-4-7-22(30)18-35-17-20-5-2-1-3-6-20/h1-3,5-6,8-13,15,22H,4,7,14,16-18H2/t22-/m0/s1/i28-4