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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-13-8-7-9-15(12-13)18-20(28(25,26)16-10-5-4-6-11-16)17(14(2)23)19(22-18)21(24)27-3/h4-12,17-20,22H,1-3H3/t17-,18-,19-,20+/m1/s1