ethyl (2R,3S)-2-(4-chlorophenyl)-4-methylidene-3-(phenylsulfonyl)pyrrolidine-1-carboxylate

Systemtic Name: ethyl (2R,3S)-2-(4-chlorophenyl)-4-methylidene-3-(phenylsulfonyl)pyrrolidine-1-carboxylate Openeye Name: ethyl (2R,3S)-3-(benzenesulfonyl)-2-(4-chlorophenyl)-4-methylene-pyrrolidine-1-carboxylate CAS Name: (2R,3S)-3-(benzenesulfonyl)-2-(4-chlorophenyl)-4-methylene-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-(benzenesulfonyl)-2-(4-chlorophenyl)-4-methylidenepyrrolidine-1-carboxylate Traditional Name: (2R,3S)-3-besyl-2-(4-chlorophenyl)-4-methylene-pyrrolidine-1-carboxylic acid ethyl ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(=C)C(C1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC(=C)[C@@H]([C@H]1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO4S/c1-3-26-20(23)22-13-14(2)19(18(22)15-9-11-16(21)12-10-15)27(24,25)17-7-5-4-6-8-17/h4-12,18-19H,2-3,13H2,1H3/t18-,19+/m1/s1