dimethyl (2R,3aR,8bS)-2-(fluoranylmethyl)-4-(phenylsulfonyl)-3a,8b-dihydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate

Systemtic Name: dimethyl (2R,3aR,8bS)-2-(fluoranylmethyl)-4-(phenylsulfonyl)-3a,8b-dihydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate Openeye Name: dimethyl (2R,3aR,8bS)-4-(benzenesulfonyl)-2-(fluoromethyl)-3a,8b-dihydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate CAS Name: (2R,3aR,8bS)-4-(benzenesulfonyl)-2-(fluoromethyl)-3a,8b-dihydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,3aR,8bS)-4-(benzenesulfonyl)-2-(fluoromethyl)-3a,8b-dihydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate Traditional Name: (2R,3aR,8bS)-4-besyl-2-(fluoromethyl)-3a,8b-dihydro-1H-pyrrol[2,3-b]indole-2,3-dicarboxylic acid dimethyl ester Formula: C21H21FN2O6S MolecularWeight: 448.464643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2C(N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)CF

Isomeric SMILES

COC(=O)[C@]1(C[C@@H]2[C@H](N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)CF

InChI

InChI=1S/C21H21FN2O6S/c1-29-19(25)21(13-22)12-16-15-10-6-7-11-17(15)24(18(16)23(21)20(26)30-2)31(27,28)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+,21-/m0/s1