methyl (2S,3R,4R,5S)-4-ethanoyl-5-(3-methylphenyl)-3-(phenylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3R,4R,5S)-4-ethanoyl-5-(3-methylphenyl)-3-(phenylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3R,4R,5S)-4-acetyl-3-(benzenesulfonyl)-5-(m-tolyl)pyrrolidine-2-carboxylate CAS Name: (2S,3R,4R,5S)-4-acetyl-3-(benzenesulfonyl)-5-(3-methylphenyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R,4R,5S)-4-acetyl-3-(benzenesulfonyl)-5-(3-methylphenyl)pyrrolidine-2-carboxylate Traditional Name: (2S,3R,4R,5S)-4-acetyl-3-besyl-5-(m-tolyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)[C@@H]2[C@@H]([C@H]([C@@H](N2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H23NO5S/c1-13-8-7-9-15(12-13)18-17(14(2)23)20(19(22-18)21(24)27-3)28(25,26)16-10-5-4-6-11-16/h4-12,17-20,22H,1-3H3/t17-,18+,19+,20+/m0/s1