methyl (2R,4S)-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-morpholino-1-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-(4-morpholinyl)-1-(4-phenoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-morpholino-1-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](CN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H26N2O6S/c1-28-22(25)21-15-17(23-11-13-29-14-12-23)16-24(21)31(26,27)20-9-7-19(8-10-20)30-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3/t17-,21+/m0/s1