ethyl (2S,5S)-5-[1-(phenylsulfonyl)indol-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,5S)-5-[1-(phenylsulfonyl)indol-2-yl]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,5S)-5-[1-(benzenesulfonyl)indol-2-yl]pyrrolidine-2-carboxylate CAS Name: (2S,5S)-5-[1-(benzenesulfonyl)-2-indolyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,5S)-5-[1-(benzenesulfonyl)indol-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S,5S)-5-(1-besylindol-2-yl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(N1)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1CC[C@H](N1)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4S/c1-2-27-21(24)18-13-12-17(22-18)20-14-15-8-6-7-11-19(15)23(20)28(25,26)16-9-4-3-5-10-16/h3-11,14,17-18,22H,2,12-13H2,1H3/t17-,18-/m0/s1