(2S)-N-[(4-chlorophenyl)methyl]-4-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-chlorophenyl)methyl]-4-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-chlorobenzyl)-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC(CC2C(=O)NCC3=CC=C(C=C3)Cl)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC(C[C@H]2C(=O)NCC3=CC=C(C=C3)Cl)O)C)C

InChI

InChI=1S/C22H27ClN2O4S/c1-13-9-14(2)16(4)21(15(13)3)30(28,29)25-12-19(26)10-20(25)22(27)24-11-17-5-7-18(23)8-6-17/h5-9,19-20,26H,10-12H2,1-4H3,(H,24,27)/t19?,20-/m0/s1