(4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N5O7S2 MolecularWeight: 457.48136

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CNC1=NN=C(S1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C16H19N5O7S2/c1-17-15-19-18-14(29-15)13-7-12(28-30(2,25)26)8-20(13)16(22)27-9-10-3-5-11(6-4-10)21(23)24/h3-6,12-13H,7-9H2,1-2H3,(H,17,19)