(4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[(4-sulfamoylphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[(4-sulfamoylphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[(4-sulfamoylphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-[[(4-sulfamoylphenyl)thio]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[(4-sulfamoylphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-[[(4-sulfamoylphenyl)thio]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H23N3O7S3 MolecularWeight: 525.61822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CSC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CSC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H23N3O7S3/c1-14(25)33-19-10-17(13-32-18-6-8-20(9-7-18)34(22,29)30)23(11-19)21(26)31-12-15-2-4-16(5-3-15)24(27)28/h2-9,17,19H,10-13H2,1H3,(H2,22,29,30)/t17-,19-/m0/s1