(4-nitrophenyl)methyl 2-(2-azanylethoxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-azanylethoxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-aminoethoxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-(2-aminoethoxymethyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-aminoethoxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-(2-aminoethoxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H23N3O8S MolecularWeight: 417.43412

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCN

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCN

InChI

InChI=1S/C16H23N3O8S/c1-28(23,24)27-15-8-14(11-25-7-6-17)18(9-15)16(20)26-10-12-2-4-13(5-3-12)19(21)22/h2-5,14-15H,6-11,17H2,1H3