methyl (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfonylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfonylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3R)-3-(benzenesulfonylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate CAS Name: (2S,3R)-3-(benzenesulfonylmethyl)-1-[(1S)-1-phenylethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(benzenesulfonylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate Traditional Name: (2S,3R)-3-(besylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(C2C(=O)OC)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CC[C@H]([C@H]2C(=O)OC)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-16(17-9-5-3-6-10-17)22-14-13-18(20(22)21(23)26-2)15-27(24,25)19-11-7-4-8-12-19/h3-12,16,18,20H,13-15H2,1-2H3/t16-,18-,20-/m0/s1