(2S,4S)-1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-4-hydroxy-1-[(4-morpholinosulfonylphenyl)carbamothioyl]pyrrolidine-2-carboxamide CAS Name: (2S,4S)-4-hydroxy-1-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-4-hydroxy-1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-4-hydroxy-1-[(4-morpholinosulfonylphenyl)thiocarbamoyl]pyrrolidine-2-carboxamide Formula: C16H22N4O5S2 MolecularWeight: 414.49968

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CC(CC3C(=O)N)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3C[C@H](C[C@H]3C(=O)N)O

InChI

InChI=1S/C16H22N4O5S2/c17-15(22)14-9-12(21)10-20(14)16(26)18-11-1-3-13(4-2-11)27(23,24)19-5-7-25-8-6-19/h1-4,12,14,21H,5-10H2,(H2,17,22)(H,18,26)/t12-,14-/m0/s1