(phenylmethyl) (2S)-2-[[3-(phenylsulfonyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(phenylsulfonyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(benzenesulfonyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(benzenesulfonyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(benzenesulfonyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(3-besylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c28-24(23-15-8-16-27(23)25(29)32-18-19-9-3-1-4-10-19)26-20-11-7-14-22(17-20)33(30,31)21-12-5-2-6-13-21/h1-7,9-14,17,23H,8,15-16,18H2,(H,26,28)/t23-/m0/s1